CID 131840329

15r-hydroxy-12s,14r-dioxolane-5z,8z,10e-eicosatrienoic acid

Structural Information

Molecular Formula
C20H32O5
SMILES
CCCCC[C@H]([C@H]1C[C@H](OO1)/C=C/C=C\C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C20H32O5/c1-2-3-10-14-18(21)19-16-17(24-25-19)13-11-8-6-4-5-7-9-12-15-20(22)23/h5-8,11,13,17-19,21H,2-4,9-10,12,14-16H2,1H3,(H,22,23)/b7-5-,8-6-,13-11+/t17-,18-,19-/m1/s1
InChIKey
CDWJBOQZSFGMHZ-RWGFGENBSA-N
Compound name
(5Z,8Z,10E)-11-[(3S,5R)-5-[(1R)-1-hydroxyhexyl]dioxolan-3-yl]undeca-5,8,10-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.22498 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.232256 193.7
[M+Na]+ 375.214198 195.0
[M-H]- 351.217704 193.4
[M+NH4]+ 370.258803 204.1
[M+K]+ 391.188138 191.9
[M+H-H2O]+ 335.222240 187.2
[M+HCOO]- 397.223181 207.3
[M+CH3COO]- 411.238831 208.3
[M+Na-2H]- 373.199646 189.9
[M]+ 352.22443142 196.1
[M]- 352.22552858 196.1
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.