CID 4439981

103521-91-1

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

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

InChI

InChI=1S/C10H15NO2/c11-10(6-12)8-13-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2

InChIKey

ZJUOMDNENVWMPL-UHFFFAOYSA-N

Compound name

2-amino-3-phenylmethoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 390
Patents: 181.11028 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]+	182.11756	140.4
[M+Na]+	204.09950	145.7
[M-H]-	180.10300	141.7
[M+NH4]+	199.14410	158.8
[M+K]+	220.07344	143.7
[M+H-H2O]+	164.10754	134.1
[M+HCOO]-	226.10848	162.9
[M+CH3COO]-	240.12413	180.8
[M+Na-2H]-	202.08495	145.4
[M]+	181.10973	139.2
[M]-	181.11083	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe