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 179.6
[M+Na]+ 343.18798 183.9
[M-H]- 319.19148 180.7
[M+NH4]+ 338.23258 193.3
[M+K]+ 359.16192 180.7
[M+H-H2O]+ 303.19602 172.3
[M+HCOO]- 365.19696 198.5
[M+CH3COO]- 379.21261 209.2
[M+Na-2H]- 341.17343 178.2
[M]+ 320.19821 185.1
[M]- 320.19931 185.1
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