CID 3016949

55275-61-1

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

COC1=CC=C(C=C1)C(CN)O

InChI

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

InChIKey

LQEPONWCAMNCOY-UHFFFAOYSA-N

Compound name

2-amino-1-(4-methoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
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	135.5
[M+Na]+	190.08386	142.3
[M-H]-	166.08736	137.5
[M+NH4]+	185.12846	155.0
[M+K]+	206.05780	140.6
[M+H-H2O]+	150.09190	129.8
[M+HCOO]-	212.09284	158.5
[M+CH3COO]-	226.10849	178.9
[M+Na-2H]-	188.06931	140.5
[M]+	167.09409	134.4
[M]-	167.09519	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe