CID 3712

Indole-3-carbinol

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C(=CN2)CO

InChI

InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2

InChIKey

IVYPNXXAYMYVSP-UHFFFAOYSA-N

Compound name

1H-indol-3-ylmethanol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 930
References: 8836
Patents: 147.06842 Da
Monoisotopic Mass: 1.1
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]+	148.07570	127.6
[M+Na]+	170.05764	141.1
[M+NH4]+	165.10224	136.8
[M+K]+	186.03158	136.1
[M-H]-	146.06114	129.1
[M+Na-2H]-	168.04309	134.5
[M]+	147.06787	129.9
[M]-	147.06897	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe