CID 398553

1h-indole-3-methanol, 1-methoxy-

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

CON1C=C(C2=CC=CC=C21)CO

InChI

InChI=1S/C10H11NO2/c1-13-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-6,12H,7H2,1H3

InChIKey

AQEZKEWAYCAHAX-UHFFFAOYSA-N

Compound name

(1-methoxyindol-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 20
Patents: 177.07898 Da
Monoisotopic Mass: 1.5
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

literature stripe

Patent stripe

patents stripe