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]+ 205.10706 143.4
[M+Na]+ 227.08900 149.9
[M-H]- 203.09250 143.7
[M+NH4]+ 222.13360 162.5
[M+K]+ 243.06294 151.5
[M+H-H2O]+ 187.09704 138.7
[M+HCOO]- 249.09798 164.4
[M+CH3COO]- 263.11363 185.7
[M+Na-2H]- 225.07445 147.6
[M]+ 204.09923 150.0
[M]- 204.10033 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.