CID 24826453

[14]-gingerol

Structural Information

Molecular Formula
C25H42O4
SMILES
CCCCCCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O
InChI
InChI=1S/C25H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-22(26)20-23(27)17-15-21-16-18-24(28)25(19-21)29-2/h16,18-19,22,26,28H,3-15,17,20H2,1-2H3
InChIKey
GLKIRXHYCSFCAM-UHFFFAOYSA-N
Compound name
5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)octadecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

406.30832 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.31560 208.5
[M+Na]+ 429.29754 209.4
[M-H]- 405.30104 206.9
[M+NH4]+ 424.34214 217.9
[M+K]+ 445.27148 204.6
[M+H-H2O]+ 389.30558 200.2
[M+HCOO]- 451.30652 223.6
[M+CH3COO]- 465.32217 225.1
[M+Na-2H]- 427.28299 203.4
[M]+ 406.30777 215.0
[M]- 406.30887 215.0
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

patents stripe