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

6
Patents

185.0688 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07608 136.5
[M+Na]+ 208.05802 145.1
[M-H]- 184.06152 139.7
[M+NH4]+ 203.10262 155.6
[M+K]+ 224.03196 146.4
[M+H-H2O]+ 168.06606 130.3
[M+HCOO]- 230.06700 160.0
[M+CH3COO]- 244.08265 179.5
[M+Na-2H]- 206.04347 142.0
[M]+ 185.06825 142.6
[M]- 185.06935 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