CID 146170935

(2r)-2-hydroperoxyoctadecanoate

Structural Information

Molecular Formula
C18H36O4
SMILES
CCCCCCCCCCCCCCCC[C@H](C(=O)O)OO
InChI
InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(22-21)18(19)20/h17,21H,2-16H2,1H3,(H,19,20)/t17-/m1/s1
InChIKey
WWJRXRMKUGIUFF-QGZVFWFLSA-N
Compound name
(2R)-2-hydroperoxyoctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.26135 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.268626 185.7
[M+Na]+ 339.250568 186.7
[M-H]- 315.254074 180.9
[M+NH4]+ 334.295173 198.7
[M+K]+ 355.224508 183.9
[M+H-H2O]+ 299.258610 178.9
[M+HCOO]- 361.259551 201.6
[M+CH3COO]- 375.275201 206.5
[M+Na-2H]- 337.236016 182.9
[M]+ 316.26080142 191.5
[M]- 316.26189858 191.5
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.