CID 636980

17635-59-5

Structural Information

Molecular Formula

C₁₅H₁₆O₂

SMILES

COC1=CC(=CC(=C1)O)CCC2=CC=CC=C2

InChI

InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3

InChIKey

HPEFWCAKFRCLBD-UHFFFAOYSA-N

Compound name

3-methoxy-5-(2-phenylethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 47
Patents: 228.11504 Da
Monoisotopic Mass: 3.8
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]+	229.122316	150.9
[M+Na]+	251.104258	158.5
[M-H]-	227.107764	156.5
[M+NH4]+	246.148863	168.4
[M+K]+	267.078198	154.6
[M+H-H2O]+	211.112300	143.9
[M+HCOO]-	273.113241	174.0
[M+CH3COO]-	287.128891	188.8
[M+Na-2H]-	249.089706	156.6
[M]+	228.11449142	152.1
[M]-	228.11558858	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe