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
3
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 184.8
[M-H]- 323.18638 177.1
[M+NH4]+ 342.22748 194.7
[M+K]+ 363.15682 179.7
[M+H-H2O]+ 307.19092 176.8
[M+HCOO]- 369.19186 197.6
[M+CH3COO]- 383.20751 201.9
[M+Na-2H]- 345.16833 178.7
[M]+ 324.19311 184.6
[M]- 324.19421 184.6
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.