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

6
Patents

206.06914 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 141.0
[M+Na]+ 229.058358 152.3
[M-H]- 205.061864 144.6
[M+NH4]+ 224.102963 159.3
[M+K]+ 245.032298 151.5
[M+H-H2O]+ 189.066400 134.1
[M+HCOO]- 251.067341 163.7
[M+CH3COO]- 265.082991 184.6
[M+Na-2H]- 227.043806 148.3
[M]+ 206.06859142 147.6
[M]- 206.06968858 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