CID 107293

4507-98-6

Structural Information

Molecular Formula
C12H22O6
SMILES
CC1(CC(OO1)(C)OOC2(CC(OO2)(C)C)C)C
InChI
InChI=1S/C12H22O6/c1-9(2)7-11(5,15-13-9)17-18-12(6)8-10(3,4)14-16-12/h7-8H2,1-6H3
InChIKey
POYUZXCADUJUPK-UHFFFAOYSA-N
Compound name
3,3,5-trimethyl-5-(3,5,5-trimethyldioxolan-3-yl)peroxydioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.14163 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.148906 143.9
[M+Na]+ 285.130848 152.6
[M-H]- 261.134354 153.4
[M+NH4]+ 280.175453 166.5
[M+K]+ 301.104788 157.8
[M+H-H2O]+ 245.138890 144.1
[M+HCOO]- 307.139831 161.9
[M+CH3COO]- 321.155481 193.0
[M+Na-2H]- 283.116296 153.8
[M]+ 262.14108142 152.1
[M]- 262.14217858 152.1
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

No patent data available for this compound.