CID 14143189

5-(aminomethyl)pyrrolidin-2-one

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

C1CC(=O)NC1CN

InChI

InChI=1S/C5H10N2O/c6-3-4-1-2-5(8)7-4/h4H,1-3,6H2,(H,7,8)

InChIKey

GFOAHABINHRDKL-UHFFFAOYSA-N

Compound name

5-(aminomethyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 615
Patents: 114.079315 Da
Monoisotopic Mass: -1.3
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]+	115.086591	122.7
[M+Na]+	137.068533	129.5
[M-H]-	113.072039	123.0
[M+NH4]+	132.113138	144.5
[M+K]+	153.042473	127.8
[M+H-H2O]+	97.076575	117.0
[M+HCOO]-	159.077516	144.3
[M+CH3COO]-	173.093166	166.4
[M+Na-2H]-	135.053981	126.8
[M]+	114.07876642	116.9
[M]-	114.07986358	116.9

Literature stripe

literature stripe

Patent stripe

patents stripe