CID 23131454

4-aminopyridine-2-carbonitrile

Structural Information

Molecular Formula
C6H5N3
SMILES
C1=CN=C(C=C1N)C#N
InChI
InChI=1S/C6H5N3/c7-4-6-3-5(8)1-2-9-6/h1-3H,(H2,8,9)
InChIKey
GMKRESMCPMIWGU-UHFFFAOYSA-N
Compound name
4-aminopyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

253
Patents

119.04835 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.05563 122.8
[M+Na]+ 142.03757 133.1
[M-H]- 118.04107 124.5
[M+NH4]+ 137.08217 141.3
[M+K]+ 158.01151 130.9
[M+H-H2O]+ 102.04561 110.0
[M+HCOO]- 164.04655 143.5
[M+CH3COO]- 178.06220 184.6
[M+Na-2H]- 140.02302 130.5
[M]+ 119.04780 115.7
[M]- 119.04890 115.7
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

patents stripe