CID 101718204

(5z,8z,11z,15e,17z)-14-hydroperoxyicosa-5,8,11,15,17-pentaenoic acid

Structural Information

Molecular Formula
C20H30O4
SMILES
CC/C=C\C=C\C(C/C=C\C/C=C\C/C=C\CCCC(=O)O)OO
InChI
InChI=1S/C20H30O4/c1-2-3-4-13-16-19(24-23)17-14-11-9-7-5-6-8-10-12-15-18-20(21)22/h3-5,7-8,10-11,13-14,16,19,23H,2,6,9,12,15,17-18H2,1H3,(H,21,22)/b4-3-,7-5-,10-8-,14-11-,16-13+
InChIKey
COEIBNZIAHZZOL-JGGDOZJASA-N
Compound name
(5Z,8Z,11Z,15E,17Z)-14-hydroperoxyicosa-5,8,11,15,17-pentaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.21442 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.22170 187.3
[M+Na]+ 357.20364 189.4
[M-H]- 333.20714 182.6
[M+NH4]+ 352.24824 199.6
[M+K]+ 373.17758 183.1
[M+H-H2O]+ 317.21168 180.9
[M+HCOO]- 379.21262 203.7
[M+CH3COO]- 393.22827 205.2
[M+Na-2H]- 355.18909 183.7
[M]+ 334.21387 190.0
[M]- 334.21497 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.