CID 11138577

Ethyl 4,4-diethoxy-3-oxobutanoate

Structural Information

Molecular Formula
C10H18O5
SMILES
CCOC(C(=O)CC(=O)OCC)OCC
InChI
InChI=1S/C10H18O5/c1-4-13-9(12)7-8(11)10(14-5-2)15-6-3/h10H,4-7H2,1-3H3
InChIKey
HYVRRAANXHHPGH-UHFFFAOYSA-N
Compound name
ethyl 4,4-diethoxy-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

218.11542 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12270 149.2
[M+Na]+ 241.10464 156.6
[M+NH4]+ 236.14924 154.1
[M+K]+ 257.07858 153.7
[M-H]- 217.10814 145.8
[M+Na-2H]- 239.09009 149.7
[M]+ 218.11487 148.8
[M]- 218.11597 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe