CID 53481471

13-hete

Structural Information

Molecular Formula
C20H32O3
SMILES
CCCCC/C=C\C(/C=C\C/C=C\C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C20H32O3/c1-2-3-4-10-13-16-19(21)17-14-11-8-6-5-7-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/b8-6-,9-7-,16-13-,17-14-
InChIKey
SAKQICHVWOJSNI-BWWNDVLWSA-N
Compound name
(5Z,8Z,11Z,14Z)-13-hydroxyicosa-5,8,11,14-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
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

No patent data available for this compound.