CID 616263

40783-24-2

Structural Information

Molecular Formula

C₁₂H₁₁NO₄

SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)C=CC2=O

InChI

InChI=1S/C12H11NO4/c1-16-8-3-4-10(17-2)9(7-8)13-11(14)5-6-12(13)15/h3-7H,1-2H3

InChIKey

FKTMIANXGGJMNY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 233.0688 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]+	234.07608	146.6
[M+Na]+	256.05802	156.9
[M-H]-	232.06152	153.1
[M+NH4]+	251.10262	165.4
[M+K]+	272.03196	154.9
[M+H-H2O]+	216.06606	139.7
[M+HCOO]-	278.06700	171.0
[M+CH3COO]-	292.08265	190.1
[M+Na-2H]-	254.04347	149.7
[M]+	233.06825	150.8
[M]-	233.06935	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe