CID 139594709

Ns00008762

Structural Information

Molecular Formula
C16H24O3
SMILES
CCC(C)(C)CC(=O)OOC(C)(C)C1=CC=CC=C1
InChI
InChI=1S/C16H24O3/c1-6-15(2,3)12-14(17)18-19-16(4,5)13-10-8-7-9-11-13/h7-11H,6,12H2,1-5H3
InChIKey
DGOPBCVBPJUNOS-UHFFFAOYSA-N
Compound name
2-phenylpropan-2-yl 3,3-dimethylpentaneperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.17255 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.179826 163.9
[M+Na]+ 287.161768 169.2
[M-H]- 263.165274 167.0
[M+NH4]+ 282.206373 180.7
[M+K]+ 303.135708 168.1
[M+H-H2O]+ 247.169810 158.0
[M+HCOO]- 309.170751 182.9
[M+CH3COO]- 323.186401 198.5
[M+Na-2H]- 285.147216 169.0
[M]+ 264.17200142 168.4
[M]- 264.17309858 168.4
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.