CID 259819

3-nitroimidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C7H5N3O2
SMILES
C1=CC2=NC=C(N2C=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H5N3O2/c11-10(12)7-5-8-6-3-1-2-4-9(6)7/h1-5H
InChIKey
WYDBFRQNRYIZSL-UHFFFAOYSA-N
Compound name
3-nitroimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

23
Patents

163.03818 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.045456 127.0
[M+Na]+ 186.027398 137.1
[M-H]- 162.030904 130.0
[M+NH4]+ 181.072003 147.2
[M+K]+ 202.001338 131.0
[M+H-H2O]+ 146.035440 124.7
[M+HCOO]- 208.036381 152.9
[M+CH3COO]- 222.052031 170.4
[M+Na-2H]- 184.012846 138.7
[M]+ 163.03763142 127.3
[M]- 163.03872858 127.3
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