CID 24826452

[9]-gingerol

Structural Information

Molecular Formula
C20H32O4
SMILES
CCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O
InChI
InChI=1S/C20H32O4/c1-3-4-5-6-7-8-9-17(21)15-18(22)12-10-16-11-13-19(23)20(14-16)24-2/h11,13-14,17,21,23H,3-10,12,15H2,1-2H3
InChIKey
POEQJXMZRAIOBX-UHFFFAOYSA-N
Compound name
5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tridecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

336.23007 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.23735 185.4
[M+Na]+ 359.21929 194.2
[M+NH4]+ 354.26389 190.2
[M+K]+ 375.19323 188.2
[M-H]- 335.22279 184.7
[M+Na-2H]- 357.20474 187.0
[M]+ 336.22952 186.1
[M]- 336.23062 186.1
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