CID 332224

Ethyl 5-ethoxy-1,3-oxazole-2-carboxylate

Structural Information

Molecular Formula
C8H11NO4
SMILES
CCOC1=CN=C(O1)C(=O)OCC
InChI
InChI=1S/C8H11NO4/c1-3-11-6-5-9-7(13-6)8(10)12-4-2/h5H,3-4H2,1-2H3
InChIKey
WZWPVIAZPSGFHJ-UHFFFAOYSA-N
Compound name
ethyl 5-ethoxy-1,3-oxazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

185.0688 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.076076 136.5
[M+Na]+ 208.058018 145.1
[M-H]- 184.061524 139.7
[M+NH4]+ 203.102623 155.6
[M+K]+ 224.031958 146.4
[M+H-H2O]+ 168.066060 130.3
[M+HCOO]- 230.067001 160.0
[M+CH3COO]- 244.082651 179.5
[M+Na-2H]- 206.043466 142.0
[M]+ 185.06825142 142.6
[M]- 185.06934858 142.6
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

patents stripe