CID 699498

1080-52-0

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

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

InChI

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

InChIKey

LWFUFCYGHRBLDH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 336
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	143.4
[M+Na]+	224.06820	157.3
[M+NH4]+	219.11280	151.6
[M+K]+	240.04214	152.5
[M-H]-	200.07170	146.4
[M+Na-2H]-	222.05365	150.4
[M]+	201.07843	146.2
[M]-	201.07953	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe