CID 5316449

Dehydrogingerdione

Structural Information

Molecular Formula
C17H22O4
SMILES
CCCCCC(=O)/C=C(/C=C\C1=CC(=C(C=C1)O)OC)\O
InChI
InChI=1S/C17H22O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h7-12,19-20H,3-6H2,1-2H3/b9-7-,15-12-
InChIKey
FZWNRFAUDBWSKY-YUKZMVOFSA-N
Compound name
(1Z,3Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)deca-1,3-dien-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1518 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.15908 169.9
[M+Na]+ 313.14102 175.1
[M-H]- 289.14452 170.1
[M+NH4]+ 308.18562 184.2
[M+K]+ 329.11496 170.9
[M+H-H2O]+ 273.14906 163.4
[M+HCOO]- 335.15000 188.2
[M+CH3COO]- 349.16565 198.7
[M+Na-2H]- 311.12647 169.0
[M]+ 290.15125 171.9
[M]- 290.15235 171.9
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

No patent data available for this compound.