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

11
Patents

188.10486 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.112136 141.9
[M+Na]+ 211.094078 147.9
[M-H]- 187.097584 142.0
[M+NH4]+ 206.138683 161.6
[M+K]+ 227.068018 149.0
[M+H-H2O]+ 171.102120 136.8
[M+HCOO]- 233.103061 163.2
[M+CH3COO]- 247.118711 184.2
[M+Na-2H]- 209.079526 143.8
[M]+ 188.10431142 146.8
[M]- 188.10540858 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