CID 7015524

2-aminoisonicotinonitrile

Structural Information

Molecular Formula

C₆H₅N₃

SMILES

C1=CN=C(C=C1C#N)N

InChI

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

InChIKey

GEEAYLFEIFJFGP-UHFFFAOYSA-N

Compound name

2-aminopyridine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 943
Patents: 119.04835 Da
Monoisotopic Mass: 0.2
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

literature stripe

Patent stripe

patents stripe