CID 105436

Ethyl 3,3-bis(tert-amylperoxy)butyrate

Structural Information

Molecular Formula
C16H32O6
SMILES
CCC(C)(C)OOC(C)(CC(=O)OCC)OOC(C)(C)CC
InChI
InChI=1S/C16H32O6/c1-9-14(4,5)19-21-16(8,12-13(17)18-11-3)22-20-15(6,7)10-2/h9-12H2,1-8H3
InChIKey
NICWAKGKDIAMOD-UHFFFAOYSA-N
Compound name
ethyl 3,3-bis(2-methylbutan-2-ylperoxy)butanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2635
Patents

320.21988 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.22716 175.9
[M+Na]+ 343.20910 181.3
[M+NH4]+ 338.25370 184.1
[M+K]+ 359.18304 180.0
[M-H]- 319.21260 170.6
[M+Na-2H]- 341.19455 175.3
[M]+ 320.21933 174.9
[M]- 320.22043 174.9
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