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

3
Patents

330.21948 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.22676 184.4
[M+Na]+ 353.20870 188.8
[M-H]- 329.21220 185.2
[M+NH4]+ 348.25330 198.0
[M+K]+ 369.18264 183.3
[M+H-H2O]+ 313.21674 177.0
[M+HCOO]- 375.21768 203.7
[M+CH3COO]- 389.23333 210.2
[M+Na-2H]- 351.19415 183.1
[M]+ 330.21893 189.0
[M]- 330.22003 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