CID 3291

Ethosuximide

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

CCC1(CC(=O)NC1=O)C

InChI

InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)

InChIKey

HAPOVYFOVVWLRS-UHFFFAOYSA-N

Compound name

3-ethyl-3-methylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1376
References: 20832
Patents: 141.07898 Da
Monoisotopic Mass: 0.4
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]+	142.08626	127.0
[M+Na]+	164.06820	136.0
[M-H]-	140.07170	128.3
[M+NH4]+	159.11280	150.7
[M+K]+	180.04214	134.3
[M+H-H2O]+	124.07624	122.9
[M+HCOO]-	186.07718	148.1
[M+CH3COO]-	200.09283	170.2
[M+Na-2H]-	162.05365	131.5
[M]+	141.07843	125.2
[M]-	141.07953	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe