CID 108717

Cyclohexanecarboperoxoic acid, 1,1,3,3-tetramethylbutyl ester

Structural Information

Molecular Formula
C15H28O3
SMILES
CC(C)(C)CC(C)(C)OOC(=O)C1CCCCC1
InChI
InChI=1S/C15H28O3/c1-14(2,3)11-15(4,5)18-17-13(16)12-9-7-6-8-10-12/h12H,6-11H2,1-5H3
InChIKey
LFXXYNMRCVBMSC-UHFFFAOYSA-N
Compound name
2,4,4-trimethylpentan-2-yl cyclohexanecarboperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.20386 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.211136 163.5
[M+Na]+ 279.193078 166.3
[M-H]- 255.196584 165.6
[M+NH4]+ 274.237683 180.4
[M+K]+ 295.167018 166.0
[M+H-H2O]+ 239.201120 158.1
[M+HCOO]- 301.202061 178.6
[M+CH3COO]- 315.217711 196.0
[M+Na-2H]- 277.178526 166.3
[M]+ 256.20331142 163.4
[M]- 256.20440858 163.4
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.