CID 72300

Magnolol

Structural Information

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

2D Structure

compound 2d structure
8
Annotation Hits

754
References

9134
Patents

266.13068 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.137956 161.8
[M+Na]+ 289.119898 170.1
[M-H]- 265.123404 166.3
[M+NH4]+ 284.164503 177.5
[M+K]+ 305.093838 163.6
[M+H-H2O]+ 249.127940 155.0
[M+HCOO]- 311.128881 182.7
[M+CH3COO]- 325.144531 196.1
[M+Na-2H]- 287.105346 164.0
[M]+ 266.13013142 161.7
[M]- 266.13122858 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