CID 155160

4-o-methylhonokiol

Structural Information

Molecular Formula
C19H20O2
SMILES
COC1=C(C=C(C=C1)C2=C(C=CC(=C2)CC=C)O)CC=C
InChI
InChI=1S/C19H20O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h4-5,8-13,20H,1-2,6-7H2,3H3
InChIKey
OQFHJKZVOALSPV-UHFFFAOYSA-N
Compound name
2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

48
References

225
Patents

280.14633 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.15361 165.8
[M+Na]+ 303.13555 174.1
[M-H]- 279.13905 171.5
[M+NH4]+ 298.18015 181.7
[M+K]+ 319.10949 168.2
[M+H-H2O]+ 263.14359 158.5
[M+HCOO]- 325.14453 187.9
[M+CH3COO]- 339.16018 201.6
[M+Na-2H]- 301.12100 168.0
[M]+ 280.14578 167.9
[M]- 280.14688 167.9
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