CID 221260

2,2-bis(tert-butylperoxy)butane

Structural Information

Molecular Formula
C12H26O4
SMILES
CCC(C)(OOC(C)(C)C)OOC(C)(C)C
InChI
InChI=1S/C12H26O4/c1-9-12(8,15-13-10(2,3)4)16-14-11(5,6)7/h9H2,1-8H3
InChIKey
HQOVXPHOJANJBR-UHFFFAOYSA-N
Compound name
2,2-bis(tert-butylperoxy)butane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

22627
Patents

234.1831 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.190376 156.7
[M+Na]+ 257.172318 162.9
[M-H]- 233.175824 157.0
[M+NH4]+ 252.216923 175.3
[M+K]+ 273.146258 164.5
[M+H-H2O]+ 217.180360 152.8
[M+HCOO]- 279.181301 174.9
[M+CH3COO]- 293.196951 193.4
[M+Na-2H]- 255.157766 163.7
[M]+ 234.18255142 164.6
[M]- 234.18364858 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe