CID 102971

2-amino-1-phenyl-1,3-propanediol

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

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

InChI

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

InChIKey

JUCGVCVPNPBJIG-UHFFFAOYSA-N

Compound name

2-amino-1-phenylpropane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1483
Patents: 167.09464 Da
Monoisotopic Mass: -0.2
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	136.3
[M+Na]+	190.08386	145.9
[M+NH4]+	185.12846	143.7
[M+K]+	206.05780	141.7
[M-H]-	166.08736	137.3
[M+Na-2H]-	188.06931	141.4
[M]+	167.09409	137.6
[M]-	167.09519	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe