CID 22476298

5,6-diaminonicotinic acid

Structural Information

Molecular Formula

C₆H₇N₃O₂

SMILES

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

InChI

InChI=1S/C6H7N3O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,7H2,(H2,8,9)(H,10,11)

InChIKey

AMUTYVGRCVFCCD-UHFFFAOYSA-N

Compound name

5,6-diaminopyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1821
Patents: 153.05383 Da
Monoisotopic Mass: -0.7
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]+	154.06111	129.3
[M+Na]+	176.04305	137.7
[M-H]-	152.04655	130.2
[M+NH4]+	171.08765	147.4
[M+K]+	192.01699	135.6
[M+H-H2O]+	136.05109	122.9
[M+HCOO]-	198.05203	152.4
[M+CH3COO]-	212.06768	177.5
[M+Na-2H]-	174.02850	134.4
[M]+	153.05328	125.5
[M]-	153.05438	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe