CID 3491825

6,6'-dicyano-2,2'-bipyridyl

Structural Information

Molecular Formula
C12H6N4
SMILES
C1=CC(=NC(=C1)C2=CC=CC(=N2)C#N)C#N
InChI
InChI=1S/C12H6N4/c13-7-9-3-1-5-11(15-9)12-6-2-4-10(8-14)16-12/h1-6H
InChIKey
KTYGOEZHIBSNMW-UHFFFAOYSA-N
Compound name
6-(6-cyanopyridin-2-yl)pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

206.05925 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06653 155.1
[M+Na]+ 229.04847 165.3
[M-H]- 205.05197 156.9
[M+NH4]+ 224.09307 165.0
[M+K]+ 245.02241 159.9
[M+H-H2O]+ 189.05651 137.4
[M+HCOO]- 251.05745 166.2
[M+CH3COO]- 265.07310 162.0
[M+Na-2H]- 227.03392 158.4
[M]+ 206.05870 146.1
[M]- 206.05980 146.1
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