CID 11297

4-hydroxytryptamine

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

C1=CC2=C(C(=C1)O)C(=CN2)CCN

InChI

InChI=1S/C10H12N2O/c11-5-4-7-6-12-8-2-1-3-9(13)10(7)8/h1-3,6,12-13H,4-5,11H2

InChIKey

FKIRTWDHOWAQGX-UHFFFAOYSA-N

Compound name

3-(2-aminoethyl)-1H-indol-4-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 601
Patents: 176.09496 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]+	177.102236	135.5
[M+Na]+	199.084178	145.1
[M-H]-	175.087684	136.4
[M+NH4]+	194.128783	155.9
[M+K]+	215.058118	140.3
[M+H-H2O]+	159.092220	129.7
[M+HCOO]-	221.093161	158.2
[M+CH3COO]-	235.108811	177.5
[M+Na-2H]-	197.069626	142.0
[M]+	176.09441142	134.1
[M]-	176.09550858	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe