CID 101661945

Ethosuximide metabolite iii

Structural Information

Molecular Formula
C7H9NO3
SMILES
CC(=O)C1(CC(=O)NC1=O)C
InChI
InChI=1S/C7H9NO3/c1-4(9)7(2)3-5(10)8-6(7)11/h3H2,1-2H3,(H,8,10,11)
InChIKey
SIZWFFGZMYBCOM-UHFFFAOYSA-N
Compound name
3-acetyl-3-methylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

155.05824 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 128.6
[M+Na]+ 178.047458 137.5
[M-H]- 154.050964 130.0
[M+NH4]+ 173.092063 151.4
[M+K]+ 194.021398 136.2
[M+H-H2O]+ 138.055500 124.5
[M+HCOO]- 200.056441 149.0
[M+CH3COO]- 214.072091 172.2
[M+Na-2H]- 176.032906 132.0
[M]+ 155.05769142 126.9
[M]- 155.05878858 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.