CID 45934088

Chebi:149623

Structural Information

Molecular Formula
C18H34O4
SMILES
CCCCCCCC/C=C\CCCCCC[C@H](C(=O)O)OO
InChI
InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(22-21)18(19)20/h9-10,17,21H,2-8,11-16H2,1H3,(H,19,20)/b10-9-/t17-/m1/s1
InChIKey
ZWELXPYFRPTEGE-DOOKAGJSSA-N
Compound name
(Z,2R)-2-hydroperoxyoctadec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.2457 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.25298 182.5
[M+Na]+ 337.23492 188.0
[M+NH4]+ 332.27952 186.0
[M+K]+ 353.20886 182.3
[M-H]- 313.23842 178.4
[M+Na-2H]- 335.22037 180.4
[M]+ 314.24515 181.5
[M]- 314.24625 181.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.