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

6032
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

literature stripe

Patent stripe

patents stripe