CID 77887

2-amino-3-nitropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

9
References

978
Patents

139.03818 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.04546 122.0
[M+Na]+ 162.02740 134.9
[M+NH4]+ 157.07200 130.2
[M+K]+ 178.00134 132.4
[M-H]- 138.03090 125.2
[M+Na-2H]- 160.01285 129.2
[M]+ 139.03763 124.5
[M]- 139.03873 124.5
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