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]+ 156.06552 128.6
[M+Na]+ 178.04746 137.5
[M-H]- 154.05096 130.0
[M+NH4]+ 173.09206 151.4
[M+K]+ 194.02140 136.2
[M+H-H2O]+ 138.05550 124.5
[M+HCOO]- 200.05644 149.0
[M+CH3COO]- 214.07209 172.2
[M+Na-2H]- 176.03291 132.0
[M]+ 155.05769 126.9
[M]- 155.05879 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.