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

13
Patents

128.09496 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 125.5
[M+Na]+ 151.084178 133.8
[M-H]- 127.087684 126.4
[M+NH4]+ 146.128783 149.1
[M+K]+ 167.058118 131.9
[M+H-H2O]+ 111.092220 121.0
[M+HCOO]- 173.093161 146.8
[M+CH3COO]- 187.108811 170.2
[M+Na-2H]- 149.069626 129.7
[M]+ 128.09441142 120.7
[M]- 128.09550858 120.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe