CID 4613180

Carbonic acid 1,1-dimethyl-2-oxo-propyl ester methyl ester

Structural Information

Molecular Formula
C7H12O4
SMILES
CC(=O)C(C)(C)OC(=O)OC
InChI
InChI=1S/C7H12O4/c1-5(8)7(2,3)11-6(9)10-4/h1-4H3
InChIKey
WQQSEXKKQYDLGG-UHFFFAOYSA-N
Compound name
methyl (2-methyl-3-oxobutan-2-yl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.07356 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08084 133.0
[M+Na]+ 183.06278 141.7
[M+NH4]+ 178.10738 139.0
[M+K]+ 199.03672 139.4
[M-H]- 159.06628 130.0
[M+Na-2H]- 181.04823 135.1
[M]+ 160.07301 133.1
[M]- 160.07411 133.1
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.