CID 85044

15667-10-4

Structural Information

Molecular Formula
C16H32O4
SMILES
CCC(C)(C)OOC1(CCCCC1)OOC(C)(C)CC
InChI
InChI=1S/C16H32O4/c1-7-14(3,4)17-19-16(12-10-9-11-13-16)20-18-15(5,6)8-2/h7-13H2,1-6H3
InChIKey
IMYCVFRTNVMHAD-UHFFFAOYSA-N
Compound name
1,1-bis(2-methylbutan-2-ylperoxy)cyclohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5522
Patents

288.23007 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.23735 172.0
[M+Na]+ 311.21929 174.9
[M-H]- 287.22279 174.0
[M+NH4]+ 306.26389 189.5
[M+K]+ 327.19323 175.4
[M+H-H2O]+ 271.22733 166.9
[M+HCOO]- 333.22827 187.6
[M+CH3COO]- 347.24392 202.0
[M+Na-2H]- 309.20474 177.0
[M]+ 288.22952 175.5
[M]- 288.23062 175.5
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.