CID 5317599

[12]-gingerol

Structural Information

Molecular Formula
C23H38O4
SMILES
CCCCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O
InChI
InChI=1S/C23H38O4/c1-3-4-5-6-7-8-9-10-11-12-20(24)18-21(25)15-13-19-14-16-22(26)23(17-19)27-2/h14,16-17,20,24,26H,3-13,15,18H2,1-2H3
InChIKey
HQXJXOYLPWCMGL-UHFFFAOYSA-N
Compound name
5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)hexadecan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

378.277 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.28428 198.7
[M+Na]+ 401.26622 206.8
[M+NH4]+ 396.31082 202.9
[M+K]+ 417.24016 200.1
[M-H]- 377.26972 197.8
[M+Na-2H]- 399.25167 199.4
[M]+ 378.27645 199.2
[M]- 378.27755 199.2
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