CID 5283157

20-hete

Structural Information

Molecular Formula
C20H32O3
SMILES
C(CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)CCO
InChI
InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-
InChIKey
NNDIXBJHNLFJJP-DTLRTWKJSA-N
Compound name
(5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

770
References

1525
Patents

320.23514 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.242416 185.5
[M+Na]+ 343.224358 187.5
[M-H]- 319.227864 180.6
[M+NH4]+ 338.268963 198.5
[M+K]+ 359.198298 180.7
[M+H-H2O]+ 303.232400 179.0
[M+HCOO]- 365.233341 202.5
[M+CH3COO]- 379.248991 203.9
[M+Na-2H]- 341.209806 183.1
[M]+ 320.23459142 188.1
[M]- 320.23568858 188.1
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