CID 5324086

2-(1h-pyrazol-1-yl)pyridine

Structural Information

Molecular Formula
C8H7N3
SMILES
C1=CC=NC(=C1)N2C=CC=N2
InChI
InChI=1S/C8H7N3/c1-2-5-9-8(4-1)11-7-3-6-10-11/h1-7H
InChIKey
XXTPHXNBKRVYJI-UHFFFAOYSA-N
Compound name
2-pyrazol-1-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1605
Patents

145.064 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.07128 126.7
[M+Na]+ 168.05322 136.0
[M-H]- 144.05672 129.6
[M+NH4]+ 163.09782 145.5
[M+K]+ 184.02716 133.4
[M+H-H2O]+ 128.06126 118.0
[M+HCOO]- 190.06220 149.9
[M+CH3COO]- 204.07785 140.6
[M+Na-2H]- 166.03867 135.4
[M]+ 145.06345 126.0
[M]- 145.06455 126.0
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