CID 5280701

15-oxoete

Structural Information

Molecular Formula
C20H30O3
SMILES
CCCCCC(=O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+
InChIKey
YGJTUEISKATQSM-USWFWKISSA-N
Compound name
(5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

19
References

118
Patents

318.21948 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.22676 183.8
[M+Na]+ 341.20870 186.4
[M-H]- 317.21220 180.5
[M+NH4]+ 336.25330 197.5
[M+K]+ 357.18264 180.4
[M+H-H2O]+ 301.21674 177.4
[M+HCOO]- 363.21768 201.6
[M+CH3COO]- 377.23333 206.4
[M+Na-2H]- 339.19415 180.7
[M]+ 318.21893 187.1
[M]- 318.22003 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