CID 168007606

(5s)-hpode(1-)

Structural Information

Molecular Formula
C18H32O4
SMILES
CCCCCCCCC/C=C\C=C\[C@H](CCCC(=O)O)OO
InChI
InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(22-21)15-13-16-18(19)20/h10-12,14,17,21H,2-9,13,15-16H2,1H3,(H,19,20)/b11-10-,14-12+/t17-/m1/s1
InChIKey
UEUMZUDZOYTZTE-LGMATZFVSA-N
Compound name
(5S,6E,8Z)-5-hydroperoxyoctadeca-6,8-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.23007 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.23735 181.8
[M+Na]+ 335.21929 187.4
[M+NH4]+ 330.26389 185.0
[M+K]+ 351.19323 181.7
[M-H]- 311.22279 177.5
[M+Na-2H]- 333.20474 179.6
[M]+ 312.22952 180.7
[M]- 312.23062 180.7
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.