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 165.2
[M+Na]+ 317.12069 169.3
[M-H]- 293.12419 164.6
[M+NH4]+ 312.16529 180.2
[M+K]+ 333.09463 172.5
[M+H-H2O]+ 277.12873 158.7
[M+HCOO]- 339.12967 185.4
[M+CH3COO]- 353.14532 201.0
[M+Na-2H]- 315.10614 164.8
[M]+ 294.13092 176.3
[M]- 294.13202 176.3
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