CID 23373306

1394382-56-9

Structural Information

Molecular Formula

C₇H₉N₅

SMILES

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

InChI

InChI=1S/C7H9N5/c8-6(9)4-2-1-3-5(12-4)7(10)11/h1-3H,(H3,8,9)(H3,10,11)

InChIKey

ODJWYRZWPHQSDH-UHFFFAOYSA-N

Compound name

pyridine-2,6-dicarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 136
Patents: 163.0858 Da
Monoisotopic Mass: -0.6
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]+	164.09308	133.9
[M+Na]+	186.07502	139.8
[M-H]-	162.07852	135.7
[M+NH4]+	181.11962	151.2
[M+K]+	202.04896	137.3
[M+H-H2O]+	146.08306	126.5
[M+HCOO]-	208.08400	159.0
[M+CH3COO]-	222.09965	188.1
[M+Na-2H]-	184.06047	139.1
[M]+	163.08525	126.3
[M]-	163.08635	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe