CID 57459766

2-amino-1-[3-(benzyloxy)phenyl]propan-1-ol hydrochloride

Structural Information

Molecular Formula

C₁₆H₁₉NO₂

SMILES

CC(C(C1=CC(=CC=C1)OCC2=CC=CC=C2)O)N

InChI

InChI=1S/C16H19NO2/c1-12(17)16(18)14-8-5-9-15(10-14)19-11-13-6-3-2-4-7-13/h2-10,12,16,18H,11,17H2,1H3

InChIKey

KUROJUPTEJDZJB-UHFFFAOYSA-N

Compound name

2-amino-1-(3-phenylmethoxyphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 257.14157 Da
Monoisotopic Mass: 2.0
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]+	258.148846	160.9
[M+Na]+	280.130788	165.5
[M-H]-	256.134294	165.4
[M+NH4]+	275.175393	176.0
[M+K]+	296.104728	162.1
[M+H-H2O]+	240.138830	153.2
[M+HCOO]-	302.139771	181.9
[M+CH3COO]-	316.155421	196.7
[M+Na-2H]-	278.116236	163.5
[M]+	257.14102142	159.1
[M]-	257.14211858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe