CID 20839146

(9e,13z,15e)-14,18-dihydroxy-12-oxooctadeca-9,13,15-trienoic acid

Structural Information

Molecular Formula
C18H28O5
SMILES
C(CCC/C=C/CC(=O)/C=C(/C=C/CCO)\O)CCCC(=O)O
InChI
InChI=1S/C18H28O5/c19-14-10-9-12-17(21)15-16(20)11-7-5-3-1-2-4-6-8-13-18(22)23/h5,7,9,12,15,19,21H,1-4,6,8,10-11,13-14H2,(H,22,23)/b7-5+,12-9+,17-15-
InChIKey
LFTUCYCUYUJMJB-HNBCEUTISA-N
Compound name
(9E,13Z,15E)-14,18-dihydroxy-12-oxooctadeca-9,13,15-trienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

324.19366 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.20094 183.1
[M+Na]+ 347.18288 187.4
[M+NH4]+ 342.22748 186.8
[M+K]+ 363.15682 183.2
[M-H]- 323.18638 177.0
[M+Na-2H]- 345.16833 179.3
[M]+ 324.19311 181.1
[M]- 324.19421 181.1
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.