CID 5745591

Pyridine, 2-nitroamino-, potassium salt

Structural Information

Molecular Formula
C5H4N3O2
SMILES
C1=CC=NC(=C1)[N-][N+](=O)[O-]
InChI
InChI=1S/C5H4N3O2/c9-8(10)7-5-3-1-2-4-6-5/h1-4H/q-1
InChIKey
BVPJQGNCMRSQLF-UHFFFAOYSA-N
Compound name
nitro(pyridin-2-yl)azanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.03035 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03763 122.3
[M+Na]+ 161.01957 129.1
[M-H]- 137.02307 124.5
[M+NH4]+ 156.06417 141.0
[M+K]+ 176.99351 125.1
[M+H-H2O]+ 121.02761 122.3
[M+HCOO]- 183.02855 149.5
[M+CH3COO]- 197.04420 168.7
[M+Na-2H]- 159.00502 133.1
[M]+ 138.02980 118.7
[M]- 138.03090 118.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe