CID 22909975

3-(methylamino)pyrrolidin-2-one hydrochloride

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

CNC1CCNC1=O

InChI

InChI=1S/C5H10N2O/c1-6-4-2-3-7-5(4)8/h4,6H,2-3H2,1H3,(H,7,8)

InChIKey

NRQJSJSJLHBAGP-UHFFFAOYSA-N

Compound name

3-(methylamino)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 114.079315 Da
Monoisotopic Mass: -0.7
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]+	115.08659	122.4
[M+Na]+	137.06853	129.1
[M-H]-	113.07204	123.1
[M+NH4]+	132.11314	144.4
[M+K]+	153.04247	127.8
[M+H-H2O]+	97.076575	116.6
[M+HCOO]-	159.07752	144.6
[M+CH3COO]-	173.09317	167.1
[M+Na-2H]-	135.05398	127.4
[M]+	114.07877	117.5
[M]-	114.07986	117.5

Literature stripe

literature stripe

Patent stripe

patents stripe