CID 17535124

Ethyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate

Structural Information

Molecular Formula
C10H10N2O3
SMILES
CCOC(=O)C1=NC2=C(C=C1)C(=NO2)C
InChI
InChI=1S/C10H10N2O3/c1-3-14-10(13)8-5-4-7-6(2)12-15-9(7)11-8/h4-5H,3H2,1-2H3
InChIKey
XYKYXEUYYXEKJZ-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

206.06914 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 141.0
[M+Na]+ 229.05836 152.3
[M-H]- 205.06186 144.6
[M+NH4]+ 224.10296 159.3
[M+K]+ 245.03230 151.5
[M+H-H2O]+ 189.06640 134.1
[M+HCOO]- 251.06734 163.7
[M+CH3COO]- 265.08299 184.6
[M+Na-2H]- 227.04381 148.3
[M]+ 206.06859 147.6
[M]- 206.06969 147.6
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