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

18
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

literature stripe

Patent stripe

patents stripe