CID 45791032

4-(aminomethyl)-1-methylpyrrolidin-2-one

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CN1CC(CC1=O)CN

InChI

InChI=1S/C6H12N2O/c1-8-4-5(3-7)2-6(8)9/h5H,2-4,7H2,1H3

InChIKey

RYPUQUNUTILSAZ-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-1-methylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 128.09496 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]+	129.102236	126.2
[M+Na]+	151.084178	134.0
[M-H]-	127.087684	128.1
[M+NH4]+	146.128783	148.6
[M+K]+	167.058118	132.9
[M+H-H2O]+	111.092220	120.5
[M+HCOO]-	173.093161	149.1
[M+CH3COO]-	187.108811	173.2
[M+Na-2H]-	149.069626	129.6
[M]+	128.09441142	123.0
[M]-	128.09550858	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe