CID 16412755

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

Structural Information

Molecular Formula
C8H7N3
SMILES
C1=CN=CC=C1C2=CC=NN2
InChI
InChI=1S/C8H7N3/c1-4-9-5-2-7(1)8-3-6-10-11-8/h1-6H,(H,10,11)
InChIKey
FEBRHATXLQPYLJ-UHFFFAOYSA-N
Compound name
4-(1H-pyrazol-5-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

186
Patents

145.064 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.07128 127.3
[M+Na]+ 168.05322 136.2
[M-H]- 144.05672 128.9
[M+NH4]+ 163.09782 145.4
[M+K]+ 184.02716 132.7
[M+H-H2O]+ 128.06126 118.9
[M+HCOO]- 190.06220 149.0
[M+CH3COO]- 204.07785 140.5
[M+Na-2H]- 166.03867 135.6
[M]+ 145.06345 124.8
[M]- 145.06455 124.8
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