CID 161812

N-methyl-2-(4-methylphenyl)succinimide

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

CC1=CC=C(C=C1)C2CC(=O)N(C2=O)C

InChI

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

InChIKey

ZTWJSSIJGHUYLK-UHFFFAOYSA-N

Compound name

1-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
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	142.3
[M+Na]+	226.083858	152.0
[M-H]-	202.087364	148.5
[M+NH4]+	221.128463	162.5
[M+K]+	242.057798	149.0
[M+H-H2O]+	186.091900	135.9
[M+HCOO]-	248.092841	164.9
[M+CH3COO]-	262.108491	186.2
[M+Na-2H]-	224.069306	144.3
[M]+	203.09409142	142.3
[M]-	203.09518858	142.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.