CID 148247

3-nitroso-2-oxazolidinone

Structural Information

Molecular Formula

C₃H₄N₂O₃

SMILES

C1COC(=O)N1N=O

InChI

InChI=1S/C3H4N2O3/c6-3-5(4-7)1-2-8-3/h1-2H2

InChIKey

MDACSTFMCAQQET-UHFFFAOYSA-N

Compound name

3-nitroso-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 23
Patents: 116.022194 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	117.029470	115.7
[M+Na]+	139.011412	124.3
[M-H]-	115.014918	120.2
[M+NH4]+	134.056017	137.6
[M+K]+	154.985352	126.6
[M+H-H2O]+	99.019454	109.8
[M+HCOO]-	161.020395	141.3
[M+CH3COO]-	175.036045	169.5
[M+Na-2H]-	136.996860	123.9
[M]+	116.02164542	116.7
[M]-	116.02274258	116.7

Literature stripe

literature stripe

Patent stripe

patents stripe