CID 236791

1-(2,6-dimethylphenyl)pyrrole-2,5-dione

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C=CC2=O

InChI

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

InChIKey

VMDQUQBEIFMAIC-UHFFFAOYSA-N

Compound name

1-(2,6-dimethylphenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1188
Patents: 201.07898 Da
Monoisotopic Mass: 1.8
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	140.6
[M+Na]+	224.06820	151.3
[M-H]-	200.07170	147.2
[M+NH4]+	219.11280	160.9
[M+K]+	240.04214	148.1
[M+H-H2O]+	184.07624	134.2
[M+HCOO]-	246.07718	164.6
[M+CH3COO]-	260.09283	185.8
[M+Na-2H]-	222.05365	143.6
[M]+	201.07843	142.0
[M]-	201.07953	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe