CID 440728

Indole-5,6-quinone

Structural Information

Molecular Formula

SMILES

C1=CNC2=CC(=O)C(=O)C=C21

InChI

InChI=1S/C8H5NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9H

InChIKey

IGGVVGHJSQSLFO-UHFFFAOYSA-N

Compound name

1H-indole-5,6-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 1346
Patents: 147.03203 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]+	148.03931	126.1
[M+Na]+	170.02125	139.3
[M+NH4]+	165.06585	134.6
[M+K]+	185.99519	135.0
[M-H]-	146.02475	127.0
[M+Na-2H]-	168.00670	132.0
[M]+	147.03148	128.0
[M]-	147.03258	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe