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]+ 236.066586 146.7
[M+Na]+ 258.048528 155.9
[M-H]- 234.052034 149.7
[M+NH4]+ 253.093133 163.9
[M+K]+ 274.022468 150.1
[M+H-H2O]+ 218.056570 143.9
[M+HCOO]- 280.057511 171.1
[M+CH3COO]- 294.073161 183.7
[M+Na-2H]- 256.033976 155.3
[M]+ 235.05876142 149.6
[M]- 235.05985858 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

literature stripe

Patent stripe

patents stripe