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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe