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
2
Annotation Hits

9
References

1249
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 121.8
[M+Na]+ 162.02740 129.8
[M-H]- 138.03090 124.3
[M+NH4]+ 157.07200 140.8
[M+K]+ 178.00134 124.6
[M+H-H2O]+ 122.03544 120.1
[M+HCOO]- 184.03638 148.1
[M+CH3COO]- 198.05203 168.1
[M+Na-2H]- 160.01285 131.9
[M]+ 139.03763 118.3
[M]- 139.03873 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