Metabolite N,N-diethyl-2-aminoethanol

Name

N,N-diethyl-2-aminoethanol

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 117.1894
Monoisotopic: 117.115364107

Chemical Formula

C₆H₁₅NO

InChI Key

BFSVOASYOCHEOV-UHFFFAOYSA-N

InChI

InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3

IUPAC Name

2-(diethylamino)ethan-1-ol

SMILES

CCN(CC)CCO

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-000i-9000000000-8635568927d2a02724b1
GC-MS Spectrum - EI-B	GC-MS	splash10-000i-9000000000-679642371f35e680a216
GC-MS Spectrum - EI-B	GC-MS	splash10-000i-9000000000-c65d76d5528026f7e716
GC-MS Spectrum - CI-B	GC-MS	splash10-014i-0900000000-798a98f8899d79a39044
GC-MS Spectrum - EI-B	GC-MS	splash10-000i-9000000000-0e3e36718a949839e4ca
GC-MS Spectrum - EI-B	GC-MS	splash10-000i-9000000000-4babed528318afee1202
GC-MS Spectrum - EI-B	GC-MS	splash10-000i-9000000000-419afeeab276c9a36e30
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0900000000-cc150250725dd4ee38c0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-2900000000-b6c609e2ca9df0e3ea4b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0ue9-5900000000-19a3e15cae9dac557757
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-9100000000-5488e018f3ddff54777e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0zfr-9500000000-57bd12d42a327b29ca0b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-e22afafade15ecdb9219

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	124.0214262	predicted	DarkChem Lite v0.1.0
[M-H]-	123.9704262	predicted	DarkChem Lite v0.1.0
[M-H]-	123.9903262	predicted	DarkChem Lite v0.1.0
[M-H]-	124.0214262	predicted	DarkChem Lite v0.1.0
[M-H]-	123.9704262	predicted	DarkChem Lite v0.1.0
[M-H]-	123.9903262	predicted	DarkChem Lite v0.1.0
[M-H]-	125.25421	predicted	DeepCCS 1.0 (2019)
[M-H]-	125.25421	predicted	DeepCCS 1.0 (2019)
[M+H]+	124.3820262	predicted	DarkChem Lite v0.1.0
[M+H]+	124.3079262	predicted	DarkChem Lite v0.1.0
[M+H]+	124.3563262	predicted	DarkChem Lite v0.1.0
[M+H]+	124.3820262	predicted	DarkChem Lite v0.1.0
[M+H]+	124.3079262	predicted	DarkChem Lite v0.1.0
[M+H]+	124.3563262	predicted	DarkChem Lite v0.1.0
[M+H]+	127.865036	predicted	DeepCCS 1.0 (2019)
[M+H]+	127.865036	predicted	DeepCCS 1.0 (2019)
[M+Na]+	124.0793262	predicted	DarkChem Lite v0.1.0
[M+Na]+	124.0761262	predicted	DarkChem Lite v0.1.0
[M+Na]+	123.9489262	predicted	DarkChem Lite v0.1.0
[M+Na]+	124.0793262	predicted	DarkChem Lite v0.1.0
[M+Na]+	124.0761262	predicted	DarkChem Lite v0.1.0
[M+Na]+	123.9489262	predicted	DarkChem Lite v0.1.0
[M+Na]+	136.45117	predicted	DeepCCS 1.0 (2019)
[M+Na]+	136.45117	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties