CID 48893

Alpha-(1-aminoethyl)-2-hydroxybenzyl alcohol hydrochloride

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

CC(C(C1=CC=CC=C1O)O)N

InChI

InChI=1S/C9H13NO2/c1-6(10)9(12)7-4-2-3-5-8(7)11/h2-6,9,11-12H,10H2,1H3

InChIKey

DNGMWKBHVLBBML-UHFFFAOYSA-N

Compound name

2-(2-amino-1-hydroxypropyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 167.09464 Da
Monoisotopic Mass: 0.8
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]+	168.10192	136.0
[M+Na]+	190.08386	146.0
[M+NH4]+	185.12846	143.4
[M+K]+	206.05780	142.0
[M-H]-	166.08736	137.0
[M+Na-2H]-	188.06931	140.8
[M]+	167.09409	137.4
[M]-	167.09519	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe