Metabolite N-(2-hydroxyethyl)-morpholine N-oxide

Name

N-(2-hydroxyethyl)-morpholine N-oxide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 147.1723
Monoisotopic: 147.089543287

Chemical Formula

C₆H₁₃NO₃

InChI Key

WTPGFRPRHSDKNE-UHFFFAOYSA-N

InChI

InChI=1S/C6H13NO3/c8-3-6-10-7-1-4-9-5-2-7/h8H,1-6H2

IUPAC Name

2-(morpholin-4-yloxy)ethan-1-ol

SMILES

OCCON1CCOCC1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0v0d-9400000000-9aa2d0c0587c2d2a8589
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0f6t-1900000000-df4a388036aba85d83b9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-4c76c4b526d91e5ac2fc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0f81-9800000000-0bd486ab454797ce420f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0f6x-9200000000-d6c796b7a64098911f84
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0k92-9300000000-5344ae5beb02186faa15
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-4e477090ff8cda91955c

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	131.27348	predicted	DarkChem Lite v0.1.0
[M-H]-	129.00299	predicted	DeepCCS 1.0 (2019)
[M+H]+	131.91128	predicted	DarkChem Lite v0.1.0
[M+H]+	131.71425	predicted	DeepCCS 1.0 (2019)
[M+Na]+	131.08718	predicted	DarkChem Lite v0.1.0
[M+Na]+	140.42213	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties