CID 72303

Honokiol

Structural Information

Molecular Formula
C18H18O2
SMILES
C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C
InChI
InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
InChIKey
FVYXIJYOAGAUQK-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1048
References

8731
Patents

266.13068 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13796 161.8
[M+Na]+ 289.11990 170.1
[M-H]- 265.12340 166.3
[M+NH4]+ 284.16450 177.5
[M+K]+ 305.09384 163.6
[M+H-H2O]+ 249.12794 155.0
[M+HCOO]- 311.12888 182.7
[M+CH3COO]- 325.14453 196.1
[M+Na-2H]- 287.10535 164.0
[M]+ 266.13013 161.7
[M]- 266.13123 161.7
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

patents stripe