CID 2763217

Ethyl oxazole-4-carboxylate

Structural Information

Molecular Formula
C6H7NO3
SMILES
CCOC(=O)C1=COC=N1
InChI
InChI=1S/C6H7NO3/c1-2-10-6(8)5-3-9-4-7-5/h3-4H,2H2,1H3
InChIKey
UBESIXFCSFYQNK-UHFFFAOYSA-N
Compound name
ethyl 1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

453
Patents

141.04259 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 124.9
[M+Na]+ 164.031808 133.5
[M-H]- 140.035314 128.1
[M+NH4]+ 159.076413 145.5
[M+K]+ 180.005748 134.9
[M+H-H2O]+ 124.039850 119.0
[M+HCOO]- 186.040791 148.8
[M+CH3COO]- 200.056441 170.3
[M+Na-2H]- 162.017256 132.0
[M]+ 141.04204142 128.4
[M]- 141.04313858 128.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe