CID 87225207

Schembl1302908

Structural Information

Molecular Formula
C18H36O3
SMILES
CCCCCCCCCC(=O)OOC(C)(C)CC(C)(C)C
InChI
InChI=1S/C18H36O3/c1-7-8-9-10-11-12-13-14-16(19)20-21-18(5,6)15-17(2,3)4/h7-15H2,1-6H3
InChIKey
YXAUCFKZAYHVNJ-UHFFFAOYSA-N
Compound name
2,4,4-trimethylpentan-2-yl decaneperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

300.26645 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.273726 180.9
[M+Na]+ 323.255668 184.3
[M-H]- 299.259174 179.9
[M+NH4]+ 318.300273 196.7
[M+K]+ 339.229608 183.2
[M+H-H2O]+ 283.263710 175.5
[M+HCOO]- 345.264651 197.7
[M+CH3COO]- 359.280301 208.5
[M+Na-2H]- 321.241116 182.3
[M]+ 300.26590142 188.8
[M]- 300.26699858 188.8
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

patents stripe