CID 57228784

4-(2-amino-1-hydroxypropan-2-yl)phenol hydrochloride

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

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

InChI

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

InChIKey

SGVBDDXPJFOINL-UHFFFAOYSA-N

Compound name

4-(2-amino-1-hydroxypropan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 167.09464 Da
Monoisotopic Mass: 0.0
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	135.4
[M+Na]+	190.08386	145.8
[M+NH4]+	185.12846	142.9
[M+K]+	206.05780	141.5
[M-H]-	166.08736	136.2
[M+Na-2H]-	188.06931	140.9
[M]+	167.09409	136.9
[M]-	167.09519	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe