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
1
Annotation Hits

0
References

208
Patents

220.09468 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10196 147.4
[M+Na]+ 243.08390 153.3
[M-H]- 219.08740 147.6
[M+NH4]+ 238.12850 165.9
[M+K]+ 259.05784 156.0
[M+H-H2O]+ 203.09194 142.1
[M+HCOO]- 265.09288 168.3
[M+CH3COO]- 279.10853 186.6
[M+Na-2H]- 241.06935 148.3
[M]+ 220.09413 154.3
[M]- 220.09523 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