CID 18704285

2-(4-nitro-1h-pyrazol-3-yl)pyridine

Structural Information

Molecular Formula
C8H6N4O2
SMILES
C1=CC=NC(=C1)C2=C(C=NN2)[N+](=O)[O-]
InChI
InChI=1S/C8H6N4O2/c13-12(14)7-5-10-11-8(7)6-3-1-2-4-9-6/h1-5H,(H,10,11)
InChIKey
YRKGZAPVVJYLGV-UHFFFAOYSA-N
Compound name
2-(4-nitro-1H-pyrazol-5-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

190.04907 Da
Monoisotopic Mass

0.7
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

No literature data available for this compound.

Patent stripe

patents stripe