CID 3871395

5-aminopyridine-2-carbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1405
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

literature stripe

Patent stripe

patents stripe