CID 159137

Isomagnolol

Structural Information

Molecular Formula
C18H18O2
SMILES
C=CCC1=CC=C(C=C1)OC2=C(C=CC(=C2)CC=C)O
InChI
InChI=1S/C18H18O2/c1-3-5-14-7-10-16(11-8-14)20-18-13-15(6-4-2)9-12-17(18)19/h3-4,7-13,19H,1-2,5-6H2
InChIKey
ROPDWYIWHWKVLI-UHFFFAOYSA-N
Compound name
4-prop-2-enyl-2-(4-prop-2-enylphenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

46
Patents

266.13068 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13796 161.8
[M+Na]+ 289.11990 169.6
[M-H]- 265.12340 167.3
[M+NH4]+ 284.16450 177.9
[M+K]+ 305.09384 163.9
[M+H-H2O]+ 249.12794 154.4
[M+HCOO]- 311.12888 184.2
[M+CH3COO]- 325.14453 197.4
[M+Na-2H]- 287.10535 165.2
[M]+ 266.13013 163.1
[M]- 266.13123 163.1
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.