CID 305551

Ethyl 5-oxooxolane-2-carboxylate

Structural Information

Molecular Formula
C7H10O4
SMILES
CCOC(=O)C1CCC(=O)O1
InChI
InChI=1S/C7H10O4/c1-2-10-7(9)5-3-4-6(8)11-5/h5H,2-4H2,1H3
InChIKey
MJQGWRVDIFBMNW-UHFFFAOYSA-N
Compound name
ethyl 5-oxooxolane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

158.0579 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.065176 130.0
[M+Na]+ 181.047118 137.4
[M-H]- 157.050624 134.2
[M+NH4]+ 176.091723 151.3
[M+K]+ 197.021058 138.7
[M+H-H2O]+ 141.055160 125.4
[M+HCOO]- 203.056101 152.4
[M+CH3COO]- 217.071751 173.8
[M+Na-2H]- 179.032566 134.4
[M]+ 158.05735142 131.7
[M]- 158.05844858 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

literature stripe

Patent stripe

patents stripe