Metabolite N-(2-hydroxyethyl)-morpholine

Name

N-(2-hydroxyethyl)-morpholine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

LY5IL94D3K

CAS number

Not Available

Weight

Average: 131.1729
Monoisotopic: 131.094628665

Chemical Formula

C₆H₁₃NO₂

InChI Key

KKFDCBRMNNSAAW-UHFFFAOYSA-N

InChI

InChI=1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2

IUPAC Name

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

SMILES

OCCN1CCOCC1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0udr-9300000000-a428bf4121b4d2205aeb
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0900000000-872a0d8e52c71e9e8c1b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-01q9-3900000000-14cb53e45cad582a5b02
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0ik9-3900000000-35ce584acd2f5e22d71c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0h37-9400000000-b28474adffc40607b407
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0230-9200000000-4f5de46d35fc896ad350
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-91c050b7c62fe571ad7e

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	125.5371458	predicted	DarkChem Lite v0.1.0
[M-H]-	126.4507458	predicted	DarkChem Lite v0.1.0
[M-H]-	126.3968458	predicted	DarkChem Lite v0.1.0
[M-H]-	128.20308	predicted	DeepCCS 1.0 (2019)
[M+H]+	126.2954458	predicted	DarkChem Lite v0.1.0
[M+H]+	127.4464458	predicted	DarkChem Lite v0.1.0
[M+H]+	127.1946458	predicted	DarkChem Lite v0.1.0
[M+H]+	130.88849	predicted	DeepCCS 1.0 (2019)
[M+Na]+	125.7749458	predicted	DarkChem Lite v0.1.0
[M+Na]+	126.6401458	predicted	DarkChem Lite v0.1.0
[M+Na]+	126.6524458	predicted	DarkChem Lite v0.1.0
[M+Na]+	139.46382	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties