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]+ 198.14887 142.6
[M+Na]+ 220.13081 151.0
[M-H]- 196.13431 145.1
[M+NH4]+ 215.17541 165.0
[M+K]+ 236.10475 149.7
[M+H-H2O]+ 180.13885 138.1
[M+HCOO]- 242.13979 162.9
[M+CH3COO]- 256.15544 187.0
[M+Na-2H]- 218.11626 143.8
[M]+ 197.14104 143.9
[M]- 197.14214 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.