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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14852 162.8
[M+Na]+ 295.13046 171.2
[M-H]- 271.13396 168.7
[M+NH4]+ 290.17506 179.0
[M+K]+ 311.10440 167.6
[M+H-H2O]+ 255.13850 155.4
[M+HCOO]- 317.13944 185.3
[M+CH3COO]- 331.15509 199.2
[M+Na-2H]- 293.11591 165.9
[M]+ 272.14069 167.0
[M]- 272.14179 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.