CID 79134

Ethyl 2-oxotetrahydrofuran-3-carboxylate

Structural Information

Molecular Formula
C7H10O4
SMILES
CCOC(=O)C1CCOC1=O
InChI
InChI=1S/C7H10O4/c1-2-10-6(8)5-3-4-11-7(5)9/h5H,2-4H2,1H3
InChIKey
JVRMSXLSEPWFIT-UHFFFAOYSA-N
Compound name
ethyl 2-oxooxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

158.0579 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 131.7
[M+Na]+ 181.04712 140.8
[M+NH4]+ 176.09172 138.7
[M+K]+ 197.02106 139.1
[M-H]- 157.05062 132.4
[M+Na-2H]- 179.03257 134.1
[M]+ 158.05735 132.8
[M]- 158.05845 132.8
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