CID 11183313

Ethyl 2,2-diethoxy-3-oxopropanoate

Structural Information

Molecular Formula
C9H16O5
SMILES
CCOC(=O)C(C=O)(OCC)OCC
InChI
InChI=1S/C9H16O5/c1-4-12-8(11)9(7-10,13-5-2)14-6-3/h7H,4-6H2,1-3H3
InChIKey
MYVHTPMUCKHXOP-UHFFFAOYSA-N
Compound name
ethyl 2,2-diethoxy-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.09978 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.107056 143.7
[M+Na]+ 227.088998 150.5
[M-H]- 203.092504 143.9
[M+NH4]+ 222.133603 162.9
[M+K]+ 243.062938 151.6
[M+H-H2O]+ 187.097040 138.9
[M+HCOO]- 249.097981 165.7
[M+CH3COO]- 263.113631 184.9
[M+Na-2H]- 225.074446 149.1
[M]+ 204.09923142 151.0
[M]- 204.10032858 151.0
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.