CID 93298

54634-49-0

Structural Information

Molecular Formula

C₄H₆N₂O₂

SMILES

C1CC(=O)N(C1)N=O

InChI

InChI=1S/C4H6N2O2/c7-4-2-1-3-6(4)5-8/h1-3H2

InChIKey

KLZYCEYOOVIITI-UHFFFAOYSA-N

Compound name

1-nitrosopyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 274
Patents: 114.04293 Da
Monoisotopic Mass: -1.4
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]+	115.050206	117.6
[M+Na]+	137.032148	125.9
[M-H]-	113.035654	121.4
[M+NH4]+	132.076753	140.9
[M+K]+	153.006088	126.5
[M+H-H2O]+	97.040190	111.5
[M+HCOO]-	159.041131	143.6
[M+CH3COO]-	173.056781	170.5
[M+Na-2H]-	135.017596	124.3
[M]+	114.04238142	116.9
[M]-	114.04347858	116.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe