CID 24976852

3-ethoxy-6-methoxy-1h-indole

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

CCOC1=CNC2=C1C=CC(=C2)OC

InChI

InChI=1S/C11H13NO2/c1-3-14-11-7-12-10-6-8(13-2)4-5-9(10)11/h4-7,12H,3H2,1-2H3

InChIKey

DBYMFYZUSNSMKO-UHFFFAOYSA-N

Compound name

3-ethoxy-6-methoxy-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.09464 Da
Monoisotopic Mass: 2.4
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]+	192.10192	139.4
[M+Na]+	214.08386	153.0
[M+NH4]+	209.12846	148.1
[M+K]+	230.05780	147.9
[M-H]-	190.08736	141.0
[M+Na-2H]-	212.06931	145.8
[M]+	191.09409	141.8
[M]-	191.09519	141.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.