CID 5283144

8,9-dhet

Structural Information

Molecular Formula
C20H34O4
SMILES
CCCCC/C=C\C/C=C\CC(C(C/C=C\CCCC(=O)O)O)O
InChI
InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10-
InChIKey
DCJBINATHQHPKO-TYAUOURKSA-N
Compound name
(5Z,11Z,14Z)-8,9-dihydroxyicosa-5,11,14-trienoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

140
Patents

338.2457 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.25298 191.3
[M+Na]+ 361.23492 191.9
[M-H]- 337.23842 185.0
[M+NH4]+ 356.27952 202.5
[M+K]+ 377.20886 186.4
[M+H-H2O]+ 321.24296 184.8
[M+HCOO]- 383.24390 204.7
[M+CH3COO]- 397.25955 206.5
[M+Na-2H]- 359.22037 185.7
[M]+ 338.24515 192.8
[M]- 338.24625 192.8
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

patents stripe