CID 3046858

62818-97-7

Structural Information

Molecular Formula

C₅H₈N₂O₂

SMILES

CC1CCC(=O)N1N=O

InChI

InChI=1S/C5H8N2O2/c1-4-2-3-5(8)7(4)6-9/h4H,2-3H2,1H3

InChIKey

CASHNMDDCIRNQZ-UHFFFAOYSA-N

Compound name

5-methyl-1-nitrosopyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 128.05858 Da
Monoisotopic Mass: -0.1
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]+	129.065856	121.7
[M+Na]+	151.047798	130.5
[M-H]-	127.051304	125.7
[M+NH4]+	146.092403	144.8
[M+K]+	167.021738	130.9
[M+H-H2O]+	111.055840	115.8
[M+HCOO]-	173.056781	147.4
[M+CH3COO]-	187.072431	174.7
[M+Na-2H]-	149.033246	127.3
[M]+	128.05803142	121.8
[M]-	128.05912858	121.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.