CID 52921885

13,14-dihydro-15-keto-lxa4

Structural Information

Molecular Formula
C20H32O5
SMILES
CCCCCC(=O)CC/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)O
InChI
InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,10,14,18-19,22-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,14-10+/t18-,19+/m1/s1
InChIKey
FPRPRBFSKMFXRV-JWVNNVTNSA-N
Compound name
(5S,6R,7E,9E,11Z)-5,6-dihydroxy-15-oxoicosa-7,9,11-trienoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

352.22498 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.232256 192.2
[M+Na]+ 375.214198 192.8
[M-H]- 351.217704 185.9
[M+NH4]+ 370.258803 189.8
[M+K]+ 391.188138 187.9
[M+H-H2O]+ 335.222240 185.8
[M+HCOO]- 397.223181 194.2
[M+CH3COO]- 411.238831 208.7
[M+Na-2H]- 373.199646 185.6
[M]+ 352.22443142 193.8
[M]- 352.22552858 193.8
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.