CID 12558381

Ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate

Structural Information

Molecular Formula
C10H9N3O4
SMILES
CCOC(=O)C1=CN2C=C(C=CC2=N1)[N+](=O)[O-]
InChI
InChI=1S/C10H9N3O4/c1-2-17-10(14)8-6-12-5-7(13(15)16)3-4-9(12)11-8/h3-6H,2H2,1H3
InChIKey
XOXFLWMGZPJKAF-UHFFFAOYSA-N
Compound name
ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

235.05931 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06659 146.7
[M+Na]+ 258.04853 155.9
[M-H]- 234.05203 149.7
[M+NH4]+ 253.09313 163.9
[M+K]+ 274.02247 150.1
[M+H-H2O]+ 218.05657 143.9
[M+HCOO]- 280.05751 171.1
[M+CH3COO]- 294.07316 183.7
[M+Na-2H]- 256.03398 155.3
[M]+ 235.05876 149.6
[M]- 235.05986 149.6
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

No patent data available for this compound.