CID 14573036

125768-93-6

Structural Information

Molecular Formula
C12H24O3
SMILES
CCC(C)(C)OOC1(CCCCC1)OC
InChI
InChI=1S/C12H24O3/c1-5-11(2,3)14-15-12(13-4)9-7-6-8-10-12/h5-10H2,1-4H3
InChIKey
MGIDEDVBLNEGDG-UHFFFAOYSA-N
Compound name
1-methoxy-1-(2-methylbutan-2-ylperoxy)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

208
Patents

216.17255 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.179826 152.1
[M+Na]+ 239.161768 156.4
[M-H]- 215.165274 154.6
[M+NH4]+ 234.206373 172.5
[M+K]+ 255.135708 156.7
[M+H-H2O]+ 199.169810 147.1
[M+HCOO]- 261.170751 170.4
[M+CH3COO]- 275.186401 187.5
[M+Na-2H]- 237.147216 157.8
[M]+ 216.17200142 153.1
[M]- 216.17309858 153.1
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

patents stripe