CID 135408742

Pyridine, 3-(5-nitro-1h-pyrazol-3-yl)-

Structural Information

Molecular Formula
C8H6N4O2
SMILES
C1=CC(=CN=C1)C2=NNC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C8H6N4O2/c13-12(14)8-4-7(10-11-8)6-2-1-3-9-5-6/h1-5H,(H,10,11)
InChIKey
ZGGOWUCSFKOJBZ-UHFFFAOYSA-N
Compound name
3-(5-nitro-1H-pyrazol-3-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

190.04907 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.056346 135.5
[M+Na]+ 213.038288 143.5
[M-H]- 189.041794 137.7
[M+NH4]+ 208.082893 150.9
[M+K]+ 229.012228 136.2
[M+H-H2O]+ 173.046330 131.4
[M+HCOO]- 235.047271 158.3
[M+CH3COO]- 249.062921 172.0
[M+Na-2H]- 211.023736 144.8
[M]+ 190.04852142 131.8
[M]- 190.04961858 131.8
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