CID 7506

4-cyanopyridine

Structural Information

Molecular Formula
C6H4N2
SMILES
C1=CN=CC=C1C#N
InChI
InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H
InChIKey
GPHQHTOMRSGBNZ-UHFFFAOYSA-N
Compound name
pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

81
References

7152
Patents

104.037445 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.04472 117.2
[M+Na]+ 127.02666 127.7
[M-H]- 103.03017 119.2
[M+NH4]+ 122.07127 136.6
[M+K]+ 143.00060 125.5
[M+H-H2O]+ 87.034705 104.6
[M+HCOO]- 149.03565 137.7
[M+CH3COO]- 163.05130 180.0
[M+Na-2H]- 125.01211 126.5
[M]+ 104.03690 111.5
[M]- 104.03799 111.5
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