CID 4586057

68835-89-2

Structural Information

Molecular Formula
C12H22O5
SMILES
CCC(C)(C)OC(=O)OC(=O)OC(C)(C)CC
InChI
InChI=1S/C12H22O5/c1-7-11(3,4)16-9(13)15-10(14)17-12(5,6)8-2/h7-8H2,1-6H3
InChIKey
PGWKKYVDHYLHNF-UHFFFAOYSA-N
Compound name
2-methylbutan-2-yl 2-methylbutan-2-yloxycarbonyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

441
Patents

246.14673 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15401 156.2
[M+Na]+ 269.13595 162.2
[M-H]- 245.13945 156.5
[M+NH4]+ 264.18055 174.1
[M+K]+ 285.10989 163.7
[M+H-H2O]+ 229.14399 152.0
[M+HCOO]- 291.14493 174.8
[M+CH3COO]- 305.16058 193.1
[M+Na-2H]- 267.12140 160.1
[M]+ 246.14618 163.3
[M]- 246.14728 163.3
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