CID 76359

1,1-bis(tert-butylperoxy)cyclohexane

Structural Information

Molecular Formula
C14H28O4
SMILES
CC(C)(C)OOC1(CCCCC1)OOC(C)(C)C
InChI
InChI=1S/C14H28O4/c1-12(2,3)15-17-14(10-8-7-9-11-14)18-16-13(4,5)6/h7-11H2,1-6H3
InChIKey
HSLFISVKRDQEBY-UHFFFAOYSA-N
Compound name
1,1-bis(tert-butylperoxy)cyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35446
Patents

260.19876 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.20604 163.4
[M+Na]+ 283.18798 167.3
[M-H]- 259.19148 165.9
[M+NH4]+ 278.23258 182.3
[M+K]+ 299.16192 168.3
[M+H-H2O]+ 243.19602 158.8
[M+HCOO]- 305.19696 179.7
[M+CH3COO]- 319.21261 194.7
[M+Na-2H]- 281.17343 169.4
[M]+ 260.19821 166.0
[M]- 260.19931 166.0
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