CID 5045113

Ethyl 2-oxo-3-pentyloxolane-3-carboxylate

Structural Information

Molecular Formula
C12H20O4
SMILES
CCCCCC1(CCOC1=O)C(=O)OCC
InChI
InChI=1S/C12H20O4/c1-3-5-6-7-12(10(13)15-4-2)8-9-16-11(12)14/h3-9H2,1-2H3
InChIKey
FGGVSXPCGULNAU-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-3-pentyloxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.13615 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14343 153.3
[M+Na]+ 251.12537 161.5
[M+NH4]+ 246.16997 160.9
[M+K]+ 267.09931 156.9
[M-H]- 227.12887 153.8
[M+Na-2H]- 249.11082 156.0
[M]+ 228.13560 154.4
[M]- 228.13670 154.4
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

No patent data available for this compound.