CID 13571630

Hydroxytryptamine

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

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

InChI

InChI=1S/C10H12N2O/c13-12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-13H,5-6H2

InChIKey

SNIXRMIHFOIVBB-UHFFFAOYSA-N

Compound name

N-[2-(1H-indol-3-yl)ethyl]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 72161
References: 5327
Patents: 176.09496 Da
Monoisotopic Mass: 1.6
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	134.6
[M+Na]+	199.084178	143.2
[M-H]-	175.087684	135.6
[M+NH4]+	194.128783	154.9
[M+K]+	215.058118	138.8
[M+H-H2O]+	159.092220	128.5
[M+HCOO]-	221.093161	158.0
[M+CH3COO]-	235.108811	177.0
[M+Na-2H]-	197.069626	142.9
[M]+	176.09441142	133.8
[M]-	176.09550858	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe