CID 2725073

1-amino-3-phenoxypropan-2-ol

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

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

InChI

InChI=1S/C9H13NO2/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7,10H2

InChIKey

JZEHWMUIAKALDN-UHFFFAOYSA-N

Compound name

1-amino-3-phenoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 431
Patents: 167.09464 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]+	168.10192	135.6
[M+Na]+	190.08386	146.2
[M+NH4]+	185.12846	143.5
[M+K]+	206.05780	140.9
[M-H]-	166.08736	137.3
[M+Na-2H]-	188.06931	141.7
[M]+	167.09409	137.3
[M]-	167.09519	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe