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

51
Patents

190.04907 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05635 135.5
[M+Na]+ 213.03829 143.5
[M-H]- 189.04179 137.7
[M+NH4]+ 208.08289 150.9
[M+K]+ 229.01223 136.2
[M+H-H2O]+ 173.04633 131.4
[M+HCOO]- 235.04727 158.3
[M+CH3COO]- 249.06292 172.0
[M+Na-2H]- 211.02374 144.8
[M]+ 190.04852 131.8
[M]- 190.04962 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