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

1
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]+ 347.221696 188.1
[M+Na]+ 369.203638 191.5
[M-H]- 345.207144 187.5
[M+NH4]+ 364.248243 200.0
[M+K]+ 385.177578 186.4
[M+H-H2O]+ 329.211680 180.8
[M+HCOO]- 391.212621 205.0
[M+CH3COO]- 405.228271 210.6
[M+Na-2H]- 367.189086 185.1
[M]+ 346.21387142 191.5
[M]- 346.21496858 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.