CID 86217089

Methyl-8-gingerol

Structural Information

Molecular Formula
C20H32O4
SMILES
CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)OC)OC)O
InChI
InChI=1S/C20H32O4/c1-4-5-6-7-8-9-17(21)15-18(22)12-10-16-11-13-19(23-2)20(14-16)24-3/h11,13-14,17,21H,4-10,12,15H2,1-3H3
InChIKey
IKXQNPSOQKPFAU-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-5-hydroxydodecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

336.23007 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.23735 184.8
[M+Na]+ 359.21929 194.2
[M+NH4]+ 354.26389 190.0
[M+K]+ 375.19323 187.9
[M-H]- 335.22279 184.6
[M+Na-2H]- 357.20474 187.0
[M]+ 336.22952 185.8
[M]- 336.23062 185.8
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