CID 4575629

1-(o-tolyl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

CC1=CC=CC=C1N2C(=O)CCC2=O

InChI

InChI=1S/C11H11NO2/c1-8-4-2-3-5-9(8)12-10(13)6-7-11(12)14/h2-5H,6-7H2,1H3

InChIKey

DCDBACYZWPRROH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 189.07898 Da
Monoisotopic Mass: 0.3
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]+	190.08626	140.8
[M+Na]+	212.06820	153.5
[M+NH4]+	207.11280	149.0
[M+K]+	228.04214	148.9
[M-H]-	188.07170	143.5
[M+Na-2H]-	210.05365	147.3
[M]+	189.07843	143.2
[M]-	189.07953	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe