CID 83138

1,1,4,4-tetramethyltetramethylene peroxypivalate

Structural Information

Molecular Formula
C18H34O6
SMILES
CC(C)(C)C(=O)OOC(C)(C)CCC(C)(C)OOC(=O)C(C)(C)C
InChI
InChI=1S/C18H34O6/c1-15(2,3)13(19)21-23-17(7,8)11-12-18(9,10)24-22-14(20)16(4,5)6/h11-12H2,1-10H3
InChIKey
AUZOWNCZAHHZQB-UHFFFAOYSA-N
Compound name
[5-(2,2-dimethylpropanoylperoxy)-2,5-dimethylhexan-2-yl] 2,2-dimethylpropaneperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

346.23553 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.242806 180.7
[M+Na]+ 369.224748 187.9
[M-H]- 345.228254 183.7
[M+NH4]+ 364.269353 190.9
[M+K]+ 385.198688 186.8
[M+H-H2O]+ 329.232790 176.8
[M+HCOO]- 391.233731 198.0
[M+CH3COO]- 405.249381 214.0
[M+Na-2H]- 367.210196 185.0
[M]+ 346.23498142 189.6
[M]- 346.23607858 189.6
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