CID 174128

Peroxydicarbonic acid, c-(1-methylethyl) c'-(1-methylpropyl) ester

Structural Information

Molecular Formula
C9H16O6
SMILES
CCC(C)OC(=O)OOC(=O)OC(C)C
InChI
InChI=1S/C9H16O6/c1-5-7(4)13-9(11)15-14-8(10)12-6(2)3/h6-7H,5H2,1-4H3
InChIKey
AKUHVUBQELUSIY-UHFFFAOYSA-N
Compound name
butan-2-yl propan-2-yloxycarbonyloxy carbonate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

182
Patents

220.09468 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.101956 147.4
[M+Na]+ 243.083898 153.3
[M-H]- 219.087404 147.6
[M+NH4]+ 238.128503 165.9
[M+K]+ 259.057838 156.0
[M+H-H2O]+ 203.091940 142.1
[M+HCOO]- 265.092881 168.3
[M+CH3COO]- 279.108531 186.6
[M+Na-2H]- 241.069346 148.3
[M]+ 220.09413142 154.3
[M]- 220.09522858 154.3
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