CID 99442

2-methylene-n-(m-tolyl)succinimide

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CC1=CC(=CC=C1)N2C(=O)CC(=C)C2=O

InChI

InChI=1S/C12H11NO2/c1-8-4-3-5-10(6-8)13-11(14)7-9(2)12(13)15/h3-6H,2,7H2,1H3

InChIKey

JECILGQKPWXJCI-UHFFFAOYSA-N

Compound name

3-methylidene-1-(3-methylphenyl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 201.07898 Da
Monoisotopic Mass: 1.7
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]+	202.086256	141.1
[M+Na]+	224.068198	151.0
[M-H]-	200.071704	147.3
[M+NH4]+	219.112803	161.2
[M+K]+	240.042138	147.4
[M+H-H2O]+	184.076240	134.7
[M+HCOO]-	246.077181	163.8
[M+CH3COO]-	260.092831	185.4
[M+Na-2H]-	222.053646	143.1
[M]+	201.07843142	140.3
[M]-	201.07952858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe