CID 130563

3,4-dhpml

Structural Information

Molecular Formula

C₁₀H₇NO₄

SMILES

C1=CC(=C(C=C1N2C(=O)C=CC2=O)O)O

InChI

InChI=1S/C10H7NO4/c12-7-2-1-6(5-8(7)13)11-9(14)3-4-10(11)15/h1-5,12-13H

InChIKey

POKCOZFAKCBKCD-UHFFFAOYSA-N

Compound name

1-(3,4-dihydroxyphenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 10
Patents: 205.0375 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]+	206.04478	142.0
[M+Na]+	228.02672	154.1
[M+NH4]+	223.07132	148.5
[M+K]+	244.00066	151.4
[M-H]-	204.03022	142.9
[M+Na-2H]-	226.01217	147.2
[M]+	205.03695	143.6
[M]-	205.03805	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe