CID 9061

5-hydroxytryptophol

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1=CC2=C(C=C1O)C(=CN2)CCO

InChI

InChI=1S/C10H11NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,5-6,11-13H,3-4H2

InChIKey

KQROHCSYOGBQGJ-UHFFFAOYSA-N

Compound name

3-(2-hydroxyethyl)-1H-indol-5-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 150
References: 2740
Patents: 177.07898 Da
Monoisotopic Mass: 0.5
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	135.3
[M+Na]+	200.06820	145.3
[M-H]-	176.07170	135.4
[M+NH4]+	195.11280	155.5
[M+K]+	216.04214	140.5
[M+H-H2O]+	160.07624	130.1
[M+HCOO]-	222.07718	156.3
[M+CH3COO]-	236.09283	172.8
[M+Na-2H]-	198.05365	141.9
[M]+	177.07843	135.2
[M]-	177.07953	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe