CID 12143105

Ethyl 3-(furan-2-yl)-2-methyl-3-oxopropanoate

Structural Information

Molecular Formula
C10H12O4
SMILES
CCOC(=O)C(C)C(=O)C1=CC=CO1
InChI
InChI=1S/C10H12O4/c1-3-13-10(12)7(2)9(11)8-5-4-6-14-8/h4-7H,3H2,1-2H3
InChIKey
JCKSIJMUVZSZHE-UHFFFAOYSA-N
Compound name
ethyl 3-(furan-2-yl)-2-methyl-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

196.07356 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 142.4
[M+Na]+ 219.06278 149.1
[M-H]- 195.06628 146.6
[M+NH4]+ 214.10738 161.9
[M+K]+ 235.03672 150.3
[M+H-H2O]+ 179.07082 136.9
[M+HCOO]- 241.07176 164.7
[M+CH3COO]- 255.08741 182.7
[M+Na-2H]- 217.04823 145.1
[M]+ 196.07301 146.4
[M]- 196.07411 146.4
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.