CID 131751379

[10]-dehydroshogaol

Structural Information

Molecular Formula
C21H30O3
SMILES
CCCCCCCCC/C=C/C(=O)/C=C\C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C21H30O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h11-17,23H,3-10H2,1-2H3/b12-11+,15-13-
InChIKey
SNJCFSROVQPPGS-UDPMFAINSA-N
Compound name
(1Z,4E)-1-(4-hydroxy-3-methoxyphenyl)tetradeca-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

330.21948 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.226756 184.4
[M+Na]+ 353.208698 188.8
[M-H]- 329.212204 185.2
[M+NH4]+ 348.253303 198.0
[M+K]+ 369.182638 183.3
[M+H-H2O]+ 313.216740 177.0
[M+HCOO]- 375.217681 203.7
[M+CH3COO]- 389.233331 210.2
[M+Na-2H]- 351.194146 183.1
[M]+ 330.21893142 189.0
[M]- 330.22002858 189.0
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

patents stripe