CID 12835

5-methoxytryptophol

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

COC1=CC2=C(C=C1)NC=C2CCO

InChI

InChI=1S/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3

InChIKey

QLWKTGDEPLRFAT-UHFFFAOYSA-N

Compound name

2-(5-methoxy-1H-indol-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 151
References: 286
Patents: 191.09464 Da
Monoisotopic Mass: 0.8
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	139.9
[M+Na]+	214.08386	152.8
[M+NH4]+	209.12846	148.2
[M+K]+	230.05780	148.1
[M-H]-	190.08736	140.9
[M+Na-2H]-	212.06931	145.6
[M]+	191.09409	141.9
[M]-	191.09519	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe