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

1042
Patents

230.1882 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.19548 155.3
[M+Na]+ 253.17742 161.3
[M-H]- 229.18092 155.7
[M+NH4]+ 248.22202 174.2
[M+K]+ 269.15136 162.1
[M+H-H2O]+ 213.18546 151.8
[M+HCOO]- 275.18640 172.3
[M+CH3COO]- 289.20205 193.5
[M+Na-2H]- 251.16287 160.6
[M]+ 230.18765 160.7
[M]- 230.18875 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