CID 409094

42518-06-9

Structural Information

Molecular Formula

C₆H₇N₃

SMILES

C1=CN=CC=C1C(=N)N

InChI

InChI=1S/C6H7N3/c7-6(8)5-1-3-9-4-2-5/h1-4H,(H3,7,8)

InChIKey

BIJRUEBMNUUNIJ-UHFFFAOYSA-N

Compound name

pyridine-4-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 727
Patents: 121.063995 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]+	122.07127	122.2
[M+Na]+	144.05321	129.2
[M-H]-	120.05672	124.2
[M+NH4]+	139.09782	142.2
[M+K]+	160.02715	127.3
[M+H-H2O]+	104.06126	115.6
[M+HCOO]-	166.06220	147.1
[M+CH3COO]-	180.07785	173.8
[M+Na-2H]-	142.03866	130.5
[M]+	121.06345	117.7
[M]-	121.06454	117.7

Literature stripe

literature stripe

Patent stripe

patents stripe