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]+ 233.174746 158.7
[M+Na]+ 255.156688 162.3
[M-H]- 231.160194 155.1
[M+NH4]+ 250.201293 175.1
[M+K]+ 271.130628 160.9
[M+H-H2O]+ 215.164730 153.1
[M+HCOO]- 277.165671 176.6
[M+CH3COO]- 291.181321 188.7
[M+Na-2H]- 253.142136 159.0
[M]+ 232.16692142 162.2
[M]- 232.16801858 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.