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]+ 275.16418 166.2
[M+Na]+ 297.14612 172.3
[M-H]- 273.14962 167.8
[M+NH4]+ 292.19072 182.1
[M+K]+ 313.12006 167.8
[M+H-H2O]+ 257.15416 159.6
[M+HCOO]- 319.15510 186.9
[M+CH3COO]- 333.17075 198.2
[M+Na-2H]- 295.13157 167.1
[M]+ 274.15635 169.4
[M]- 274.15745 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.