CID 6440419

20-hydroxy-eicosatetraenoic acid

Structural Information

Molecular Formula
C20H32O3
SMILES
C(CCCCC/C=C/C=C/C=C/C=C/C(=O)O)CCCCCO
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/h4,6,8,10,12,14,16,18,21H,1-3,5,7,9,11,13,15,17,19H2,(H,22,23)/b6-4+,10-8+,14-12+,18-16+
InChIKey
OFOHMBHZMFNVJA-DHIOLEBQSA-N
Compound name
(2E,4E,6E,8E)-20-hydroxyicosa-2,4,6,8-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

300
Patents

320.23514 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24242 185.5
[M+Na]+ 343.22436 187.5
[M-H]- 319.22786 180.6
[M+NH4]+ 338.26896 198.5
[M+K]+ 359.19830 180.7
[M+H-H2O]+ 303.23240 179.0
[M+HCOO]- 365.23334 202.5
[M+CH3COO]- 379.24899 203.9
[M+Na-2H]- 341.20981 183.1
[M]+ 320.23459 188.1
[M]- 320.23569 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