CID 145864726

Chebi:145836

Structural Information

Molecular Formula
C20H36O4
SMILES
CCCCCCCCCCC/C=C\C=C\[C@H](CCCC(=O)O)OO
InChI
InChI=1S/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h12-14,16,19,23H,2-11,15,17-18H2,1H3,(H,21,22)/b13-12-,16-14+/t19-/m1/s1
InChIKey
RDHFKVSJUOLISK-ZVRDGTKVSA-N
Compound name
(5S,6E,8Z)-5-hydroperoxyicosa-6,8-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.26135 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.26863 190.4
[M+Na]+ 363.25057 195.5
[M+NH4]+ 358.29517 193.3
[M+K]+ 379.22451 189.4
[M-H]- 339.25407 186.0
[M+Na-2H]- 361.23602 187.7
[M]+ 340.26080 189.2
[M]- 340.26190 189.2
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

No patent data available for this compound.