CID 14613691

Ethyl 4,4-dimethoxy-3-oxopentanoate

Structural Information

Molecular Formula
C9H16O5
SMILES
CCOC(=O)CC(=O)C(C)(OC)OC
InChI
InChI=1S/C9H16O5/c1-5-14-8(11)6-7(10)9(2,12-3)13-4/h5-6H2,1-4H3
InChIKey
UEXPBCWEQVAAMS-UHFFFAOYSA-N
Compound name
ethyl 4,4-dimethoxy-3-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.09978 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.107056 143.4
[M+Na]+ 227.088998 149.9
[M-H]- 203.092504 143.7
[M+NH4]+ 222.133603 162.5
[M+K]+ 243.062938 151.5
[M+H-H2O]+ 187.097040 138.7
[M+HCOO]- 249.097981 164.4
[M+CH3COO]- 263.113631 185.7
[M+Na-2H]- 225.074446 147.6
[M]+ 204.09923142 150.0
[M]- 204.10032858 150.0
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.