CID 139596778

Ns00089150

Structural Information

Molecular Formula
C14H30O4
SMILES
CC(CC(C)OOC(C)(C)C)COOC(C)(C)C
InChI
InChI=1S/C14H30O4/c1-11(10-15-17-13(3,4)5)9-12(2)16-18-14(6,7)8/h11-12H,9-10H2,1-8H3
InChIKey
QKEMKESGMSHRMA-UHFFFAOYSA-N
Compound name
1,4-bis(tert-butylperoxy)-2-methylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.21442 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.221696 166.2
[M+Na]+ 285.203638 170.7
[M-H]- 261.207144 165.9
[M+NH4]+ 280.248243 183.5
[M+K]+ 301.177578 172.3
[M+H-H2O]+ 245.211680 161.5
[M+HCOO]- 307.212621 183.4
[M+CH3COO]- 321.228271 200.3
[M+Na-2H]- 283.189086 168.6
[M]+ 262.21387142 174.1
[M]- 262.21496858 174.1
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.