CID 522624

N-(4-ethylphenyl)maleimide

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CCC1=CC=C(C=C1)N2C(=O)C=CC2=O

InChI

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

InChIKey

FHVHFKZQDVQILM-UHFFFAOYSA-N

Compound name

1-(4-ethylphenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 249
Patents: 201.07898 Da
Monoisotopic Mass: 1.9
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	141.3
[M+Na]+	224.068198	151.1
[M-H]-	200.071704	147.4
[M+NH4]+	219.112803	161.3
[M+K]+	240.042138	147.8
[M+H-H2O]+	184.076240	134.5
[M+HCOO]-	246.077181	165.3
[M+CH3COO]-	260.092831	184.7
[M+Na-2H]-	222.053646	144.9
[M]+	201.07843142	142.2
[M]-	201.07952858	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe