CID 165785121

5,5-dimethyl-1-(3-methylbutyl)pyrrolidine-2,4-dione

Structural Information

Molecular Formula
C11H19NO2
SMILES
CC(C)CCN1C(=O)CC(=O)C1(C)C
InChI
InChI=1S/C11H19NO2/c1-8(2)5-6-12-10(14)7-9(13)11(12,3)4/h8H,5-7H2,1-4H3
InChIKey
BHYLVNCDGCXQFL-UHFFFAOYSA-N
Compound name
5,5-dimethyl-1-(3-methylbutyl)pyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.14159 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.148866 142.6
[M+Na]+ 220.130808 151.0
[M-H]- 196.134314 145.1
[M+NH4]+ 215.175413 165.0
[M+K]+ 236.104748 149.7
[M+H-H2O]+ 180.138850 138.1
[M+HCOO]- 242.139791 162.9
[M+CH3COO]- 256.155441 187.0
[M+Na-2H]- 218.116256 143.8
[M]+ 197.14104142 143.9
[M]- 197.14213858 143.9
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

No patent data available for this compound.