CID 295912

2-aminopyridine-3,5-dicarbonitrile

Structural Information

Molecular Formula
C7H4N4
SMILES
C1=C(C=NC(=C1C#N)N)C#N
InChI
InChI=1S/C7H4N4/c8-2-5-1-6(3-9)7(10)11-4-5/h1,4H,(H2,10,11)
InChIKey
YLZXGBMEWRIPQX-UHFFFAOYSA-N
Compound name
2-aminopyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

96
Patents

144.0436 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.05088 143.6
[M+Na]+ 167.03282 153.5
[M-H]- 143.03632 145.6
[M+NH4]+ 162.07742 156.2
[M+K]+ 183.00676 151.1
[M+H-H2O]+ 127.04086 127.9
[M+HCOO]- 189.04180 156.3
[M+CH3COO]- 203.05745 211.4
[M+Na-2H]- 165.01827 146.7
[M]+ 144.04305 134.1
[M]- 144.04415 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.