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 131.4
[M+Na]+ 183.06278 138.9
[M-H]- 159.06628 132.1
[M+NH4]+ 178.10738 152.5
[M+K]+ 199.03672 140.5
[M+H-H2O]+ 143.07082 127.4
[M+HCOO]- 205.07176 152.8
[M+CH3COO]- 219.08741 176.9
[M+Na-2H]- 181.04823 136.5
[M]+ 160.07301 135.7
[M]- 160.07411 135.7
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.