CID 13353749

93129-56-7

Structural Information

Molecular Formula
C9H8N2O3
SMILES
CCOC(=O)C1=NC2=C(O1)C=CC=N2
InChI
InChI=1S/C9H8N2O3/c1-2-13-9(12)8-11-7-6(14-8)4-3-5-10-7/h3-5H,2H2,1H3
InChIKey
KRPJHFZZVZJQES-UHFFFAOYSA-N
Compound name
ethyl [1,3]oxazolo[4,5-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0535 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 136.2
[M+Na]+ 215.042718 147.0
[M-H]- 191.046224 139.6
[M+NH4]+ 210.087323 154.8
[M+K]+ 231.016658 146.5
[M+H-H2O]+ 175.050760 129.2
[M+HCOO]- 237.051701 159.2
[M+CH3COO]- 251.067351 180.4
[M+Na-2H]- 213.028166 144.8
[M]+ 192.05295142 142.0
[M]- 192.05404858 142.0
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

No patent data available for this compound.