CID 86181346

Methyl-10-gingerol

Structural Information

Molecular Formula
C22H36O4
SMILES
CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)OC)OC)O
InChI
InChI=1S/C22H36O4/c1-4-5-6-7-8-9-10-11-19(23)17-20(24)14-12-18-13-15-21(25-2)22(16-18)26-3/h13,15-16,19,23H,4-12,14,17H2,1-3H3
InChIKey
YCMYNWSNMYONMK-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-5-hydroxytetradecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

364.26135 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.26863 193.7
[M+Na]+ 387.25057 202.6
[M+NH4]+ 382.29517 198.5
[M+K]+ 403.22451 195.8
[M-H]- 363.25407 193.4
[M+Na-2H]- 385.23602 195.3
[M]+ 364.26080 194.6
[M]- 364.26190 194.6
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