CID 101143062

11-oxo-ete(1-)

Structural Information

Molecular Formula
C20H30O3
SMILES
CCCCC/C=C\C=C\C(=O)C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H30O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6-,10-7-,14-11-,16-13+
InChIKey
SFIBXKABWRNYKQ-RLZWZWKOSA-N
Compound name
(5Z,8Z,12E,14Z)-11-oxoicosa-5,8,12,14-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

318.21948 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.22676 184.9
[M+Na]+ 341.20870 191.3
[M+NH4]+ 336.25330 188.0
[M+K]+ 357.18264 184.0
[M-H]- 317.21220 180.9
[M+Na-2H]- 339.19415 183.0
[M]+ 318.21893 184.0
[M]- 318.22003 184.0
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.