CID 122524

1-((1-hydroperoxymethylcyclohexyl)dioxy)methylcyclohexan-1-ol

Structural Information

Molecular Formula
C14H26O5
SMILES
C1CCC(CC1)(COOC2(CCCCC2)COO)O
InChI
InChI=1S/C14H26O5/c15-13(7-3-1-4-8-13)11-18-19-14(12-17-16)9-5-2-6-10-14/h15-16H,1-12H2
InChIKey
PVLRGQZYXRZWFY-UHFFFAOYSA-N
Compound name
1-[[1-(hydroperoxymethyl)cyclohexyl]peroxymethyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.178 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.185276 166.5
[M+Na]+ 297.167218 167.7
[M-H]- 273.170724 168.3
[M+NH4]+ 292.211823 184.0
[M+K]+ 313.141158 166.7
[M+H-H2O]+ 257.175260 160.3
[M+HCOO]- 319.176201 180.1
[M+CH3COO]- 333.191851 188.8
[M+Na-2H]- 295.152666 170.1
[M]+ 274.17745142 161.4
[M]- 274.17854858 161.4
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.