CID 15222504

3-hydroxy-2',5-dimethoxy-2-methylbibenzyl

Structural Information

Molecular Formula

C₁₇H₂₀O₃

SMILES

CC1=C(C=C(C=C1O)OC)CCC2=CC=CC=C2OC

InChI

InChI=1S/C17H20O3/c1-12-14(10-15(19-2)11-16(12)18)9-8-13-6-4-5-7-17(13)20-3/h4-7,10-11,18H,8-9H2,1-3H3

InChIKey

QFKRHRIRDDHCRT-UHFFFAOYSA-N

Compound name

5-methoxy-3-[2-(2-methoxyphenyl)ethyl]-2-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 272.14124 Da
Monoisotopic Mass: 4.1
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]+	273.148516	162.8
[M+Na]+	295.130458	171.2
[M-H]-	271.133964	168.7
[M+NH4]+	290.175063	179.0
[M+K]+	311.104398	167.6
[M+H-H2O]+	255.138500	155.4
[M+HCOO]-	317.139441	185.3
[M+CH3COO]-	331.155091	199.2
[M+Na-2H]-	293.115906	165.9
[M]+	272.14069142	167.0
[M]-	272.14178858	167.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.