CID 120144

Pyridine-2,4-dicarbonitrile

Structural Information

Molecular Formula
C7H3N3
SMILES
C1=CN=C(C=C1C#N)C#N
InChI
InChI=1S/C7H3N3/c8-4-6-1-2-10-7(3-6)5-9/h1-3H
InChIKey
HLAGQMFURMNTLW-UHFFFAOYSA-N
Compound name
pyridine-2,4-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

214
Patents

129.0327 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.039976 138.4
[M+Na]+ 152.021918 148.7
[M-H]- 128.025424 140.7
[M+NH4]+ 147.066523 151.8
[M+K]+ 167.995858 145.9
[M+H-H2O]+ 112.029960 122.8
[M+HCOO]- 174.030901 151.1
[M+CH3COO]- 188.046551 208.0
[M+Na-2H]- 150.007366 142.9
[M]+ 129.03215142 130.0
[M]- 129.03324858 130.0
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