CID 3029201

2,4-dimethylphenylmaleimide

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CC1=CC(=C(C=C1)C2=CC(=O)NC2=O)C

InChI

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

InChIKey

LVPPXNHYWDRVQT-UHFFFAOYSA-N

Compound name

3-(2,4-dimethylphenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
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]+	202.08626	141.5
[M+Na]+	224.06820	151.8
[M-H]-	200.07170	146.7
[M+NH4]+	219.11280	161.1
[M+K]+	240.04214	147.7
[M+H-H2O]+	184.07624	135.4
[M+HCOO]-	246.07718	164.0
[M+CH3COO]-	260.09283	183.3
[M+Na-2H]-	222.05365	144.0
[M]+	201.07843	141.0
[M]-	201.07953	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe