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
3
Annotation Hits

0
References

21
Patents

336.23007 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.237346 188.8
[M+Na]+ 359.219288 190.5
[M-H]- 335.222794 184.0
[M+NH4]+ 354.263893 201.0
[M+K]+ 375.193228 184.8
[M+H-H2O]+ 319.227330 182.2
[M+HCOO]- 381.228271 205.0
[M+CH3COO]- 395.243921 206.7
[M+Na-2H]- 357.204736 185.2
[M]+ 336.22952142 192.2
[M]- 336.23061858 192.2
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