CID 27240

15382-88-4

Structural Information

Molecular Formula

C₁₅H₁₇NO₃

SMILES

COC1=C(C=CC(=C1)N)OCC(C2=CC=CC=C2)O

InChI

InChI=1S/C15H17NO3/c1-18-15-9-12(16)7-8-14(15)19-10-13(17)11-5-3-2-4-6-11/h2-9,13,17H,10,16H2,1H3

InChIKey

LAGKSIPNDVEMLM-UHFFFAOYSA-N

Compound name

2-(4-amino-2-methoxyphenoxy)-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.12085 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]+	260.128126	158.9
[M+Na]+	282.110068	165.1
[M-H]-	258.113574	163.9
[M+NH4]+	277.154673	174.3
[M+K]+	298.084008	162.0
[M+H-H2O]+	242.118110	151.2
[M+HCOO]-	304.119051	181.5
[M+CH3COO]-	318.134701	196.2
[M+Na-2H]-	280.095516	162.7
[M]+	259.12030142	159.2
[M]-	259.12139858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.