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]+ 229.143426 151.7
[M+Na]+ 251.125368 157.8
[M-H]- 227.128874 155.3
[M+NH4]+ 246.169973 172.3
[M+K]+ 267.099308 158.2
[M+H-H2O]+ 211.133410 147.2
[M+HCOO]- 273.134351 172.5
[M+CH3COO]- 287.150001 188.4
[M+Na-2H]- 249.110816 154.8
[M]+ 228.13560142 155.6
[M]- 228.13669858 155.6
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.