CID 12293452

Ethyl 2-methyl-4-oxo-4,5-dihydrofuran-3-carboxylate

Structural Information

Molecular Formula
C8H10O4
SMILES
CCOC(=O)C1=C(OCC1=O)C
InChI
InChI=1S/C8H10O4/c1-3-11-8(10)7-5(2)12-4-6(7)9/h3-4H2,1-2H3
InChIKey
DLCRRDMHCZRVPB-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-4-oxofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

170.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 131.8
[M+Na]+ 193.04712 140.7
[M-H]- 169.05062 136.7
[M+NH4]+ 188.09172 153.1
[M+K]+ 209.02106 141.7
[M+H-H2O]+ 153.05516 127.3
[M+HCOO]- 215.05610 155.4
[M+CH3COO]- 229.07175 177.6
[M+Na-2H]- 191.03257 136.1
[M]+ 170.05735 135.7
[M]- 170.05845 135.7
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