CID 91721121

Methyl [8]-shogaol

Structural Information

Molecular Formula
C20H30O3
SMILES
CCCCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C20H30O3/c1-4-5-6-7-8-9-10-11-18(21)14-12-17-13-15-19(22-2)20(16-17)23-3/h10-11,13,15-16H,4-9,12,14H2,1-3H3/b11-10+
InChIKey
ZNOLGYFCFIVHQI-ZHACJKMWSA-N
Compound name
(E)-1-(3,4-dimethoxyphenyl)dodec-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

318.21948 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.22676 180.8
[M+Na]+ 341.20870 185.6
[M-H]- 317.21220 183.2
[M+NH4]+ 336.25330 195.6
[M+K]+ 357.18264 181.9
[M+H-H2O]+ 301.21674 173.2
[M+HCOO]- 363.21768 201.7
[M+CH3COO]- 377.23333 211.2
[M+Na-2H]- 339.19415 180.5
[M]+ 318.21893 187.7
[M]- 318.22003 187.7
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

No patent data available for this compound.