CID 53715968

3-amino-4,4-dimethylpyrrolidin-2-one

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CC1(CNC(=O)C1N)C

InChI

InChI=1S/C6H12N2O/c1-6(2)3-8-5(9)4(6)7/h4H,3,7H2,1-2H3,(H,8,9)

InChIKey

CDVAQEBLCVPBNY-UHFFFAOYSA-N

Compound name

3-amino-4,4-dimethylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 128.09496 Da
Monoisotopic Mass: -0.4
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	126.4
[M+Na]+	151.08418	135.1
[M+NH4]+	146.12878	135.3
[M+K]+	167.05812	130.8
[M-H]-	127.08768	126.5
[M+Na-2H]-	149.06963	130.9
[M]+	128.09441	127.4
[M]-	128.09551	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe