CID 398553

N-methoxyindole-3-carbinol

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

2
Annotation Hits: 8
References: 32
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]+	178.086256	134.3
[M+Na]+	200.068198	145.1
[M-H]-	176.071704	137.2
[M+NH4]+	195.112803	156.0
[M+K]+	216.042138	142.2
[M+H-H2O]+	160.076240	128.5
[M+HCOO]-	222.077181	158.4
[M+CH3COO]-	236.092831	177.8
[M+Na-2H]-	198.053646	141.8
[M]+	177.07843142	137.9
[M]-	177.07952858	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe