CID 12667601

N-cyanopyridine-3-amidine

Structural Information

Molecular Formula

C₇H₆N₄

SMILES

C1=CC(=CN=C1)C(=NC#N)N

InChI

InChI=1S/C7H6N4/c8-5-11-7(9)6-2-1-3-10-4-6/h1-4H,(H2,9,11)

InChIKey

AKRJDDPVSSPCSI-UHFFFAOYSA-N

Compound name

N'-cyanopyridine-3-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 146.05925 Da
Monoisotopic Mass: 0.0
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]+	147.06653	131.9
[M+Na]+	169.04847	140.4
[M-H]-	145.05197	134.1
[M+NH4]+	164.09307	149.1
[M+K]+	185.02241	138.6
[M+H-H2O]+	129.05651	117.9
[M+HCOO]-	191.05745	153.6
[M+CH3COO]-	205.07310	192.5
[M+Na-2H]-	167.03392	139.0
[M]+	146.05870	124.3
[M]-	146.05980	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe