CID 21586084

Ethyl 5-oxooxolane-3-carboxylate

Structural Information

Molecular Formula
C7H10O4
SMILES
CCOC(=O)C1CC(=O)OC1
InChI
InChI=1S/C7H10O4/c1-2-10-7(9)5-3-6(8)11-4-5/h5H,2-4H2,1H3
InChIKey
FESAUDRCHNHLNK-UHFFFAOYSA-N
Compound name
ethyl 5-oxooxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

158.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 130.0
[M+Na]+ 181.04712 137.4
[M-H]- 157.05062 134.2
[M+NH4]+ 176.09172 151.3
[M+K]+ 197.02106 138.7
[M+H-H2O]+ 141.05516 125.4
[M+HCOO]- 203.05610 152.4
[M+CH3COO]- 217.07175 173.8
[M+Na-2H]- 179.03257 134.4
[M]+ 158.05735 131.7
[M]- 158.05845 131.7
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