CID 86251456

3,3'-dihydroxy-4,5dimethoxybibenzyl

Structural Information

Molecular Formula
C16H18O4
SMILES
COC1=CC(=CC(=C1OC)O)CCC2=CC(=CC=C2)O
InChI
InChI=1S/C16H18O4/c1-19-15-10-12(9-14(18)16(15)20-2)7-6-11-4-3-5-13(17)8-11/h3-5,8-10,17-18H,6-7H2,1-2H3
InChIKey
SXTIQENJRJOCLX-UHFFFAOYSA-N
Compound name
5-[2-(3-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

274.1205 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.127776 161.7
[M+Na]+ 297.109718 170.0
[M-H]- 273.113224 166.5
[M+NH4]+ 292.154323 177.1
[M+K]+ 313.083658 166.4
[M+H-H2O]+ 257.117760 154.5
[M+HCOO]- 319.118701 183.2
[M+CH3COO]- 333.134351 195.9
[M+Na-2H]- 295.095166 165.0
[M]+ 274.11995142 165.2
[M]- 274.12104858 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.