CID 61685424

Ethyl 2-ethyl-4-methoxy-3-oxobutanoate

Structural Information

Molecular Formula
C9H16O4
SMILES
CCC(C(=O)COC)C(=O)OCC
InChI
InChI=1S/C9H16O4/c1-4-7(8(10)6-12-3)9(11)13-5-2/h7H,4-6H2,1-3H3
InChIKey
CORGFINQARASPK-UHFFFAOYSA-N
Compound name
ethyl 2-ethyl-4-methoxy-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

188.10486 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11214 141.9
[M+Na]+ 211.09408 147.9
[M-H]- 187.09758 142.0
[M+NH4]+ 206.13868 161.6
[M+K]+ 227.06802 149.0
[M+H-H2O]+ 171.10212 136.8
[M+HCOO]- 233.10306 163.2
[M+CH3COO]- 247.11871 184.2
[M+Na-2H]- 209.07953 143.8
[M]+ 188.10431 146.8
[M]- 188.10541 146.8
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

patents stripe