CID 103612

Bis(3-methoxybutyl) peroxydicarbonate

Structural Information

Molecular Formula
C12H22O8
SMILES
CC(CCOOC(=O)C(=O)OOCCC(C)OC)OC
InChI
InChI=1S/C12H22O8/c1-9(15-3)5-7-17-19-11(13)12(14)20-18-8-6-10(2)16-4/h9-10H,5-8H2,1-4H3
InChIKey
FBQZJBMRDNLFQO-UHFFFAOYSA-N
Compound name
bis(3-methoxybutyl) ethanediperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

294.13147 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.13875 165.1
[M+Na]+ 317.12069 170.3
[M+NH4]+ 312.16529 167.7
[M+K]+ 333.09463 169.5
[M-H]- 293.12419 159.8
[M+Na-2H]- 315.10614 163.4
[M]+ 294.13092 163.6
[M]- 294.13202 163.6
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