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 188.1
[M+Na]+ 369.20364 191.5
[M-H]- 345.20714 187.5
[M+NH4]+ 364.24824 200.0
[M+K]+ 385.17758 186.4
[M+H-H2O]+ 329.21168 180.8
[M+HCOO]- 391.21262 205.0
[M+CH3COO]- 405.22827 210.6
[M+Na-2H]- 367.18909 185.1
[M]+ 346.21387 191.5
[M]- 346.21497 191.5
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.