CID 3022340

2-methylbutan-2-yl 2,2-bis(methylperoxy)butanoate

Structural Information

Molecular Formula
C11H22O6
SMILES
CCC(C)(C)OC(=O)C(CC)(OOC)OOC
InChI
InChI=1S/C11H22O6/c1-7-10(3,4)15-9(12)11(8-2,16-13-5)17-14-6/h7-8H2,1-6H3
InChIKey
COJXAYDKQFCQAO-UHFFFAOYSA-N
Compound name
2-methylbutan-2-yl 2,2-bis(methylperoxy)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.14163 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.148906 156.2
[M+Na]+ 273.130848 162.1
[M-H]- 249.134354 156.2
[M+NH4]+ 268.175453 173.6
[M+K]+ 289.104788 164.4
[M+H-H2O]+ 233.138890 151.4
[M+HCOO]- 295.139831 175.9
[M+CH3COO]- 309.155481 194.3
[M+Na-2H]- 271.116296 161.8
[M]+ 250.14108142 165.8
[M]- 250.14217858 165.8
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.