CID 101661944

Ethosuximide metabolite vi

Structural Information

Molecular Formula
C8H11NO4
SMILES
CC1(CC(=O)NC1=O)CCC(=O)O
InChI
InChI=1S/C8H11NO4/c1-8(3-2-6(11)12)4-5(10)9-7(8)13/h2-4H2,1H3,(H,11,12)(H,9,10,13)
InChIKey
SLFDVIROMKYTAA-UHFFFAOYSA-N
Compound name
3-(3-methyl-2,5-dioxopyrrolidin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

185.0688 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07608 137.0
[M+Na]+ 208.05802 144.9
[M-H]- 184.06152 136.7
[M+NH4]+ 203.10262 157.8
[M+K]+ 224.03196 142.9
[M+H-H2O]+ 168.06606 132.8
[M+HCOO]- 230.06700 155.8
[M+CH3COO]- 244.08265 174.9
[M+Na-2H]- 206.04347 139.5
[M]+ 185.06825 135.2
[M]- 185.06935 135.2
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

patents stripe