CID 5281794

6-shogaol

Structural Information

Molecular Formula
C17H24O3
SMILES
CCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+
InChIKey
OQWKEEOHDMUXEO-BQYQJAHWSA-N
Compound name
(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

353
References

6073
Patents

276.17255 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17983 168.1
[M+Na]+ 299.16177 179.0
[M+NH4]+ 294.20637 174.2
[M+K]+ 315.13571 171.9
[M-H]- 275.16527 168.5
[M+Na-2H]- 297.14722 171.7
[M]+ 276.17200 169.5
[M]- 276.17310 169.5
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