CID 146170877

(2r)-2-hydroperoxydodecanoate

Structural Information

Molecular Formula
C12H24O4
SMILES
CCCCCCCCCC[C@H](C(=O)O)OO
InChI
InChI=1S/C12H24O4/c1-2-3-4-5-6-7-8-9-10-11(16-15)12(13)14/h11,15H,2-10H2,1H3,(H,13,14)/t11-/m1/s1
InChIKey
ZOTULBWGMSDACS-LLVKDONJSA-N
Compound name
(2R)-2-hydroperoxydodecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.16747 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.17475 158.7
[M+Na]+ 255.15669 162.3
[M-H]- 231.16019 155.1
[M+NH4]+ 250.20129 175.1
[M+K]+ 271.13063 160.9
[M+H-H2O]+ 215.16473 153.1
[M+HCOO]- 277.16567 176.6
[M+CH3COO]- 291.18132 188.7
[M+Na-2H]- 253.14214 159.0
[M]+ 232.16692 162.2
[M]- 232.16802 162.2
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.