CID 53446567

1,1,3,3-tetramethylbutylperoxypivalate

Structural Information

Molecular Formula
C13H26O3
SMILES
CC(C)(C)CC(C)(C)OOC(=O)C(C)(C)C
InChI
InChI=1S/C13H26O3/c1-11(2,3)9-13(7,8)16-15-10(14)12(4,5)6/h9H2,1-8H3
InChIKey
MUOYRBYBTJDAOT-UHFFFAOYSA-N
Compound name
2,4,4-trimethylpentan-2-yl 2,2-dimethylpropaneperoxoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

673
Patents

230.1882 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.195476 155.3
[M+Na]+ 253.177418 161.3
[M-H]- 229.180924 155.7
[M+NH4]+ 248.222023 174.2
[M+K]+ 269.151358 162.1
[M+H-H2O]+ 213.185460 151.8
[M+HCOO]- 275.186401 172.3
[M+CH3COO]- 289.202051 193.5
[M+Na-2H]- 251.162866 160.6
[M]+ 230.18765142 160.7
[M]- 230.18874858 160.7
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