CID 206635

28330-19-0

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]+ 227.091396 143.7
[M+Na]+ 249.073338 153.0
[M-H]- 225.076844 146.2
[M+NH4]+ 244.117943 160.4
[M+K]+ 265.047278 151.7
[M+H-H2O]+ 209.081380 132.3
[M+HCOO]- 271.082321 159.7
[M+CH3COO]- 285.097971 195.0
[M+Na-2H]- 247.058786 145.4
[M]+ 226.08357142 142.4
[M]- 226.08466858 142.4
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.