CID 84431

5,6-dimethoxyindole

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

COC1=C(C=C2C(=C1)C=CN2)OC

InChI

InChI=1S/C10H11NO2/c1-12-9-5-7-3-4-11-8(7)6-10(9)13-2/h3-6,11H,1-2H3

InChIKey

QODBZRNBPUPLEZ-UHFFFAOYSA-N

Compound name

5,6-dimethoxy-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 562
Patents: 177.07898 Da
Monoisotopic Mass: 2.0
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]+	178.08626	134.8
[M+Na]+	200.06820	148.6
[M+NH4]+	195.11280	143.7
[M+K]+	216.04214	143.8
[M-H]-	176.07170	136.4
[M+Na-2H]-	198.05365	141.5
[M]+	177.07843	137.2
[M]-	177.07953	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe