CID 19694998

3-(aminomethyl)pyrrolidin-2-one

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

C1CNC(=O)C1CN

InChI

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

InChIKey

DMJZQILWVRAKET-UHFFFAOYSA-N

Compound name

3-(aminomethyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
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	122.9
[M+Na]+	137.06853	131.3
[M+NH4]+	132.11314	130.6
[M+K]+	153.04247	128.6
[M-H]-	113.07204	123.0
[M+Na-2H]-	135.05398	126.2
[M]+	114.07877	123.6
[M]-	114.07986	123.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe