CID 61931

Tert-butylperoxy 2-ethylhexyl carbonate

Structural Information

Molecular Formula
C13H26O4
SMILES
CCCCC(CC)COC(=O)OOC(C)(C)C
InChI
InChI=1S/C13H26O4/c1-6-8-9-11(7-2)10-15-12(14)16-17-13(3,4)5/h11H,6-10H2,1-5H3
InChIKey
BRQMAAFGEXNUOL-UHFFFAOYSA-N
Compound name
2-ethylhexyl (2-methylpropan-2-yl)oxy carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2596
Patents

246.1831 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.19038 161.8
[M+Na]+ 269.17232 166.7
[M-H]- 245.17582 161.5
[M+NH4]+ 264.21692 179.6
[M+K]+ 285.14626 167.4
[M+H-H2O]+ 229.18036 156.6
[M+HCOO]- 291.18130 181.1
[M+CH3COO]- 305.19695 195.2
[M+Na-2H]- 267.15777 163.7
[M]+ 246.18255 169.0
[M]- 246.18365 169.0
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