CID 131751371

[6]dehydroshogaol

Structural Information

Molecular Formula
C17H22O3
SMILES
CCCCC/C=C/C(=O)/C=C\C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C17H22O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-13,19H,3-6H2,1-2H3/b8-7+,11-9-
InChIKey
JLXKTAQNHHXFHL-OHFYBLQUSA-N
Compound name
(1Z,4E)-1-(4-hydroxy-3-methoxyphenyl)deca-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1569 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.164176 166.2
[M+Na]+ 297.146118 172.3
[M-H]- 273.149624 167.8
[M+NH4]+ 292.190723 182.1
[M+K]+ 313.120058 167.8
[M+H-H2O]+ 257.154160 159.6
[M+HCOO]- 319.155101 186.9
[M+CH3COO]- 333.170751 198.2
[M+Na-2H]- 295.131566 167.1
[M]+ 274.15635142 169.4
[M]- 274.15744858 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.