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]+ 257.21114 163.5
[M+Na]+ 279.19308 166.3
[M-H]- 255.19658 165.6
[M+NH4]+ 274.23768 180.4
[M+K]+ 295.16702 166.0
[M+H-H2O]+ 239.20112 158.1
[M+HCOO]- 301.20206 178.6
[M+CH3COO]- 315.21771 196.0
[M+Na-2H]- 277.17853 166.3
[M]+ 256.20331 163.4
[M]- 256.20441 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.