CID 5283154

8s-hete

Structural Information

Molecular Formula
C20H32O3
SMILES
CCCCC/C=C\C/C=C\C=C\[C@H](C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1
InChIKey
NLUNAYAEIJYXRB-VYOQERLCSA-N
Compound name
(5Z,8S,9E,11Z,14Z)-8-hydroxyicosa-5,9,11,14-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

51
References

554
Patents

320.23514 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24242 186.4
[M+Na]+ 343.22436 192.2
[M+NH4]+ 338.26896 189.4
[M+K]+ 359.19830 185.3
[M-H]- 319.22786 182.1
[M+Na-2H]- 341.20981 183.9
[M]+ 320.23459 185.3
[M]- 320.23569 185.3
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