CID 206635

Brn 1376913

Structural Information

Molecular Formula
C11H14O5
SMILES
CCOC(=O)C1CC(OC1=O)COCC#C
InChI
InChI=1S/C11H14O5/c1-3-5-14-7-8-6-9(11(13)16-8)10(12)15-4-2/h1,8-9H,4-7H2,2H3
InChIKey
KZSFFEORIHTMOT-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-5-(prop-2-ynoxymethyl)oxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.08412 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09140 146.5
[M+Na]+ 249.07334 155.0
[M+NH4]+ 244.11794 148.8
[M+K]+ 265.04728 150.0
[M-H]- 225.07684 138.5
[M+Na-2H]- 247.05879 145.0
[M]+ 226.08357 144.2
[M]- 226.08467 144.2
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.