CID 9794897

[4]-shogaol

Structural Information

Molecular Formula
C15H20O3
SMILES
CCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C15H20O3/c1-3-4-5-6-13(16)9-7-12-8-10-14(17)15(11-12)18-2/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3/b6-5+
InChIKey
PHHDVGGCTAPBHF-AATRIKPKSA-N
Compound name
(E)-1-(4-hydroxy-3-methoxyphenyl)oct-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

248.14125 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 159.1
[M+Na]+ 271.13047 170.5
[M+NH4]+ 266.17507 165.6
[M+K]+ 287.10441 163.8
[M-H]- 247.13397 159.7
[M+Na-2H]- 269.11592 163.3
[M]+ 248.14070 160.7
[M]- 248.14180 160.7
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