CID 11052781

1802-29-5

Structural Information

Molecular Formula
C12H6N4
SMILES
C1=CC(=NC=C1C#N)C2=NC=C(C=C2)C#N
InChI
InChI=1S/C12H6N4/c13-5-9-1-3-11(15-7-9)12-4-2-10(6-14)8-16-12/h1-4,7-8H
InChIKey
HFGASMNBMUOCGQ-UHFFFAOYSA-N
Compound name
6-(5-cyanopyridin-2-yl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

47
Patents

206.05925 Da
Monoisotopic Mass

0.9
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