CID 22724560

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

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CN1C(CCC1=O)CN

InChI

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

InChIKey

DKSAVRDCNKWFDA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 128.09496 Da
Monoisotopic Mass: -1.1
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]+	129.10224	126.7
[M+Na]+	151.08418	135.9
[M+NH4]+	146.12878	134.6
[M+K]+	167.05812	132.9
[M-H]-	127.08768	127.4
[M+Na-2H]-	149.06963	130.2
[M]+	128.09441	127.8
[M]-	128.09551	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe