CID 168115

10-gingerol

Structural Information

Molecular Formula
C21H34O4
SMILES
CCCCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O
InChI
InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
InChIKey
AIULWNKTYPZYAN-SFHVURJKSA-N
Compound name
(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

665
References

645
Patents

350.2457 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.25298 189.8
[M+Na]+ 373.23492 198.4
[M+NH4]+ 368.27952 194.5
[M+K]+ 389.20886 192.2
[M-H]- 349.23842 189.1
[M+Na-2H]- 371.22037 191.1
[M]+ 350.24515 190.5
[M]- 350.24625 190.5
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