CID 6476

Methsuximide

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

CC1(CC(=O)N(C1=O)C)C2=CC=CC=C2

InChI

InChI=1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3

InChIKey

AJXPJJZHWIXJCJ-UHFFFAOYSA-N

Compound name

1,3-dimethyl-3-phenylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 77
References: 7805
Patents: 203.09464 Da
Monoisotopic Mass: 1.2
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]+	204.10192	144.7
[M+Na]+	226.08386	157.4
[M+NH4]+	221.12846	154.3
[M+K]+	242.05780	150.9
[M-H]-	202.08736	147.4
[M+Na-2H]-	224.06931	152.6
[M]+	203.09409	147.3
[M]-	203.09519	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe