CID 53481456

12-oxo-10,11-dihydro-20-cooh-ltb4

Structural Information

Molecular Formula
C20H30O6
SMILES
C(CCC(=O)O)C/C=C\CC(=O)CC/C=C/C=C\[C@@H](CCCC(=O)O)O
InChI
InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-6,8,13,18,22H,1,3,7,9-12,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,13-8-/t18-/m0/s1
InChIKey
RYMSXFPLTLWXCK-VJNSNPJLSA-N
Compound name
(5R,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

366.20422 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21150 192.6
[M+Na]+ 389.19344 193.4
[M-H]- 365.19694 186.3
[M+NH4]+ 384.23804 191.1
[M+K]+ 405.16738 188.5
[M+H-H2O]+ 349.20148 186.0
[M+HCOO]- 411.20242 195.2
[M+CH3COO]- 425.21807 210.0
[M+Na-2H]- 387.17889 186.2
[M]+ 366.20367 195.0
[M]- 366.20477 195.0
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.