Metabolite 3-amino-2-oxazolidone

Name

3-amino-2-oxazolidone

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

VJ7HE86A15

CAS number

Not Available

Weight

Average: 102.0919
Monoisotopic: 102.042927446

Chemical Formula

C₃H₆N₂O₂

InChI Key

KYCJNIUHWNJNCT-UHFFFAOYSA-N

InChI

InChI=1S/C3H6N2O2/c4-5-1-2-7-3(5)6/h1-2,4H2

IUPAC Name

3-amino-1,3-oxazolidin-2-one

SMILES

NN1CCOC1=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-004l-9000000000-b89fbd66177496db0cd8
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fb9-9200000000-7d05075d9d733dda165e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0pi0-9300000000-2dda663458b344118c0a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-9100000000-72704721bf7ca177e558
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-9000000000-7ad6824be8feff3c0e8d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-302a74b2874c764d9987
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-9000000000-68f7bff1c25cd7f98ca1

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	111.3159846	predicted	DarkChem Lite v0.1.0
[M-H]-	111.3506846	predicted	DarkChem Lite v0.1.0
[M-H]-	125.35097	predicted	DeepCCS 1.0 (2019)
[M+H]+	111.7451846	predicted	DarkChem Lite v0.1.0
[M+H]+	111.8506846	predicted	DarkChem Lite v0.1.0
[M+H]+	128.11058	predicted	DeepCCS 1.0 (2019)
[M+Na]+	111.7376846	predicted	DarkChem Lite v0.1.0
[M+Na]+	111.6151846	predicted	DarkChem Lite v0.1.0
[M+Na]+	136.38707	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties