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]+ 205.10706 143.7
[M+Na]+ 227.08900 150.5
[M-H]- 203.09250 143.9
[M+NH4]+ 222.13360 162.9
[M+K]+ 243.06294 151.6
[M+H-H2O]+ 187.09704 138.9
[M+HCOO]- 249.09798 165.7
[M+CH3COO]- 263.11363 184.9
[M+Na-2H]- 225.07445 149.1
[M]+ 204.09923 151.0
[M]- 204.10033 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.