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

252
Patents

119.04835 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.055626 122.8
[M+Na]+ 142.037568 133.1
[M-H]- 118.041074 124.5
[M+NH4]+ 137.082173 141.3
[M+K]+ 158.011508 130.9
[M+H-H2O]+ 102.045610 110.0
[M+HCOO]- 164.046551 143.5
[M+CH3COO]- 178.062201 184.6
[M+Na-2H]- 140.023016 130.5
[M]+ 119.04780142 115.7
[M]- 119.04889858 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