CID 442793

Gingerol

Structural Information

Molecular Formula
C17H26O4
SMILES
CCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O
InChI
InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1
InChIKey
NLDDIKRKFXEWBK-AWEZNQCLSA-N
Compound name
(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

749
References

15653
Patents

294.1831 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.19038 172.5
[M+Na]+ 317.17232 176.9
[M-H]- 293.17582 172.5
[M+NH4]+ 312.21692 186.6
[M+K]+ 333.14626 173.9
[M+H-H2O]+ 277.18036 165.7
[M+HCOO]- 339.18130 190.4
[M+CH3COO]- 353.19695 201.6
[M+Na-2H]- 315.15777 171.5
[M]+ 294.18255 176.1
[M]- 294.18365 176.1
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