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

436
Patents

246.14673 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.154006 156.2
[M+Na]+ 269.135948 162.2
[M-H]- 245.139454 156.5
[M+NH4]+ 264.180553 174.1
[M+K]+ 285.109888 163.7
[M+H-H2O]+ 229.143990 152.0
[M+HCOO]- 291.144931 174.8
[M+CH3COO]- 305.160581 193.1
[M+Na-2H]- 267.121396 160.1
[M]+ 246.14618142 163.3
[M]- 246.14727858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.