CID 168114

8-gingerol

Structural Information

Molecular Formula
C19H30O4
SMILES
CCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O
InChI
InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
InChIKey
BCIWKKMTBRYQJU-INIZCTEOSA-N
Compound name
(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

28
References

741
Patents

322.21442 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.22170 181.0
[M+Na]+ 345.20364 190.0
[M+NH4]+ 340.24824 186.0
[M+K]+ 361.17758 184.2
[M-H]- 321.20714 180.3
[M+Na-2H]- 343.18909 182.8
[M]+ 322.21387 181.8
[M]- 322.21497 181.8
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