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

8
Annotation Hits: 84
References: 8348
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]+	204.101916	141.6
[M+Na]+	226.083858	151.3
[M-H]-	202.087364	147.8
[M+NH4]+	221.128463	163.5
[M+K]+	242.057798	148.5
[M+H-H2O]+	186.091900	135.6
[M+HCOO]-	248.092841	164.2
[M+CH3COO]-	262.108491	184.5
[M+Na-2H]-	224.069306	145.5
[M]+	203.09409142	141.4
[M]-	203.09518858	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe