CID 548803

4-amino-3-nitropyridine

Structural Information

Molecular Formula
C5H5N3O2
SMILES
C1=CN=CC(=C1N)[N+](=O)[O-]
InChI
InChI=1S/C5H5N3O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H,(H2,6,7)
InChIKey
IUPPEELMBOPLDJ-UHFFFAOYSA-N
Compound name
3-nitropyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

577
Patents

139.03818 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.045456 121.8
[M+Na]+ 162.027398 129.8
[M-H]- 138.030904 124.3
[M+NH4]+ 157.072003 140.8
[M+K]+ 178.001338 124.6
[M+H-H2O]+ 122.035440 120.1
[M+HCOO]- 184.036381 148.1
[M+CH3COO]- 198.052031 168.1
[M+Na-2H]- 160.012846 131.9
[M]+ 139.03763142 118.3
[M]- 139.03872858 118.3
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