CID 122391314

8-hpepe(1-)

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/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)22/h3-4,6-7,9-11,13-14,16,19,23H,2,5,8,12,15,17-18H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,14-11-,16-13+
InChIKey
FKUQDPQMNVKDHV-GXIKJMEPSA-N
Compound name
(5Z,9E,11Z,14Z,17Z)-8-hydroperoxyicosa-5,9,11,14,17-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]+ 335.221696 187.3
[M+Na]+ 357.203638 189.4
[M-H]- 333.207144 182.6
[M+NH4]+ 352.248243 199.6
[M+K]+ 373.177578 183.1
[M+H-H2O]+ 317.211680 180.9
[M+HCOO]- 379.212621 203.7
[M+CH3COO]- 393.228271 205.2
[M+Na-2H]- 355.189086 183.7
[M]+ 334.21387142 190.0
[M]- 334.21496858 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

patents stripe