CID 5283159

5-oxo-ete

Structural Information

Molecular Formula
C20H30O3
SMILES
CCCCC/C=C\C/C=C\C/C=C\C=C\C(=O)CCCC(=O)O
InChI
InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+
InChIKey
MEASLHGILYBXFO-XTDASVJISA-N
Compound name
(6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

29
References

493
Patents

318.21948 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.226756 183.8
[M+Na]+ 341.208698 186.4
[M-H]- 317.212204 180.5
[M+NH4]+ 336.253303 197.5
[M+K]+ 357.182638 180.4
[M+H-H2O]+ 301.216740 177.4
[M+HCOO]- 363.217681 201.6
[M+CH3COO]- 377.233331 206.4
[M+Na-2H]- 339.194146 180.7
[M]+ 318.21893142 187.1
[M]- 318.22002858 187.1
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