CID 110008

68299-16-1

Structural Information

Molecular Formula
C15H30O3
SMILES
CCC(C)(C)OOC(=O)CCCCCC(C)(C)C
InChI
InChI=1S/C15H30O3/c1-7-15(5,6)18-17-13(16)11-9-8-10-12-14(2,3)4/h7-12H2,1-6H3
InChIKey
ZIDNXYVJSYJXPE-UHFFFAOYSA-N
Compound name
2-methylbutan-2-yl 7,7-dimethyloctaneperoxoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4054
Patents

258.21948 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.226756 167.0
[M+Na]+ 281.208698 171.7
[M-H]- 257.212204 166.5
[M+NH4]+ 276.253303 184.5
[M+K]+ 297.182638 171.3
[M+H-H2O]+ 241.216740 162.2
[M+HCOO]- 303.217681 184.8
[M+CH3COO]- 317.233331 199.6
[M+Na-2H]- 279.194146 170.0
[M]+ 258.21893142 173.7
[M]- 258.22002858 173.7
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