CID 74204

N-benzylmaleimide

Structural Information

Molecular Formula

C₁₁H₉NO₂

SMILES

C1=CC=C(C=C1)CN2C(=O)C=CC2=O

InChI

InChI=1S/C11H9NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7H,8H2

InChIKey

MKRBAPNEJMFMHU-UHFFFAOYSA-N

Compound name

1-benzylpyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 20
References: 11296
Patents: 187.06332 Da
Monoisotopic Mass: 1.0
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]+	188.070596	137.2
[M+Na]+	210.052538	146.5
[M-H]-	186.056044	143.1
[M+NH4]+	205.097143	157.4
[M+K]+	226.026478	143.5
[M+H-H2O]+	170.060580	130.3
[M+HCOO]-	232.061521	161.6
[M+CH3COO]-	246.077171	180.5
[M+Na-2H]-	208.037986	142.0
[M]+	187.06277142	137.4
[M]-	187.06386858	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe