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

89
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

literature stripe

Patent stripe

patents stripe