CID 5283173

9-hpete

Structural Information

Molecular Formula
C20H32O4
SMILES
CCCCC/C=C\C/C=C\CC(/C=C/C=C\CCCC(=O)O)OO
InChI
InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-10-13-16-19(24-23)17-14-11-9-12-15-18-20(21)22/h6-7,9-11,13-14,17,19,23H,2-5,8,12,15-16,18H2,1H3,(H,21,22)/b7-6-,11-9-,13-10-,17-14+
InChIKey
LIYCOTUUWOESJK-OIZRIKEUSA-N
Compound name
(5Z,7E,11Z,14Z)-9-hydroperoxyicosa-5,7,11,14-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

336.23007 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.23735 189.0
[M+Na]+ 359.21929 194.2
[M+NH4]+ 354.26389 191.1
[M+K]+ 375.19323 187.9
[M-H]- 335.22279 184.1
[M+Na-2H]- 357.20474 186.0
[M]+ 336.22952 187.5
[M]- 336.23062 187.5
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

patents stripe