CID 22416568

13600-47-0

Structural Information

Molecular Formula

C₆H₅N₃

SMILES

C1=C(C=NC=C1N)C#N

InChI

InChI=1S/C6H5N3/c7-2-5-1-6(8)4-9-3-5/h1,3-4H,8H2

InChIKey

VGGLPUFUWXSMFB-UHFFFAOYSA-N

Compound name

5-aminopyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 234
Patents: 119.04835 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe