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

68
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

literature stripe

Patent stripe

patents stripe