CID 19989

4067-01-0

Structural Information

Molecular Formula

C₁₁H₉NO₂

SMILES

CC1=CC=CC=C1N2C(=O)C=CC2=O

InChI

InChI=1S/C11H9NO2/c1-8-4-2-3-5-9(8)12-10(13)6-7-11(12)14/h2-7H,1H3

InChIKey

QYOJZFBQEAZNEW-UHFFFAOYSA-N

Compound name

1-(2-methylphenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 4012
Patents: 187.06332 Da
Monoisotopic Mass: 0.6
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]+	188.07060	139.2
[M+Na]+	210.05254	152.9
[M+NH4]+	205.09714	147.5
[M+K]+	226.02648	148.1
[M-H]-	186.05604	142.1
[M+Na-2H]-	208.03799	146.7
[M]+	187.06277	141.9
[M]-	187.06387	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe