CID 58961

101832-02-4

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

C1=CC=C2C(=C1)C(=CN2)C(CN)O

InChI

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

InChIKey

UMDWJYHTZUWTET-UHFFFAOYSA-N

Compound name

2-amino-1-(1H-indol-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 135
Patents: 176.09496 Da
Monoisotopic Mass: 0.4
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	136.1
[M+Na]+	199.084178	144.4
[M-H]-	175.087684	136.7
[M+NH4]+	194.128783	156.0
[M+K]+	215.058118	140.1
[M+H-H2O]+	159.092220	130.1
[M+HCOO]-	221.093161	157.8
[M+CH3COO]-	235.108811	177.3
[M+Na-2H]-	197.069626	142.0
[M]+	176.09441142	133.7
[M]-	176.09550858	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe