CID 5316450

10-dehydrogingerdione

Structural Information

Molecular Formula
C21H30O4
SMILES
CCCCCCCCCC(=O)/C=C(/C=C\C1=CC(=C(C=C1)O)OC)\O
InChI
InChI=1S/C21H30O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h11-16,23-24H,3-10H2,1-2H3/b13-11-,19-16-
InChIKey
NILVTWAPVHQVPS-PBYGQCEKSA-N
Compound name
(1Z,3Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradeca-1,3-dien-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.21442 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.22170 188.3
[M+Na]+ 369.20364 197.0
[M+NH4]+ 364.24824 192.4
[M+K]+ 385.17758 190.6
[M-H]- 345.20714 187.0
[M+Na-2H]- 367.18909 189.3
[M]+ 346.21387 188.7
[M]- 346.21497 188.7
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.