CID 14440537

(8)-gingerdione

Structural Information

Molecular Formula
C19H28O4
SMILES
CCCCCCCC(=O)CC(=O)CCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C19H28O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,22H,3-9,11,14H2,1-2H3
InChIKey
QDSRAFNZQKMHPZ-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-3-methoxyphenyl)dodecane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

320.19876 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20604 179.5
[M+Na]+ 343.18798 189.1
[M+NH4]+ 338.23258 184.5
[M+K]+ 359.16192 182.9
[M-H]- 319.19148 179.1
[M+Na-2H]- 341.17343 181.8
[M]+ 320.19821 180.4
[M]- 320.19931 180.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe