CID 13617482

138713-55-0

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

COC1=CC=C(C=C1)C(CO)N

InChI

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

InChIKey

OZNSMUSCZYUFHD-UHFFFAOYSA-N

Compound name

2-amino-2-(4-methoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 167.09464 Da
Monoisotopic Mass: 0.1
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]+	168.10192	135.3
[M+Na]+	190.08386	146.2
[M+NH4]+	185.12846	143.2
[M+K]+	206.05780	141.1
[M-H]-	166.08736	137.0
[M+Na-2H]-	188.06931	141.1
[M]+	167.09409	137.1
[M]-	167.09519	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe