CID 28367834

2-(pyrazol-1-yl)-3-cyanopyridine

Structural Information

Molecular Formula
C9H6N4
SMILES
C1=CC(=C(N=C1)N2C=CC=N2)C#N
InChI
InChI=1S/C9H6N4/c10-7-8-3-1-4-11-9(8)13-6-2-5-12-13/h1-6H
InChIKey
TXYIYGOHWGLULK-UHFFFAOYSA-N
Compound name
2-pyrazol-1-ylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

170.05925 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.066526 132.8
[M+Na]+ 193.048468 143.7
[M-H]- 169.051974 133.9
[M+NH4]+ 188.093073 148.3
[M+K]+ 209.022408 139.5
[M+H-H2O]+ 153.056510 116.6
[M+HCOO]- 215.057451 151.4
[M+CH3COO]- 229.073101 144.3
[M+Na-2H]- 191.033916 139.3
[M]+ 170.05870142 127.1
[M]- 170.05979858 127.1
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