CID 82404805

5-(1h-pyrazol-1-yl)nicotinic acid

Structural Information

Molecular Formula

C₉H₇N₃O₂

SMILES

C1=CN(N=C1)C2=CN=CC(=C2)C(=O)O

InChI

InChI=1S/C9H7N3O2/c13-9(14)7-4-8(6-10-5-7)12-3-1-2-11-12/h1-6H,(H,13,14)

InChIKey

LOGIIKIQHYALIR-UHFFFAOYSA-N

Compound name

5-pyrazol-1-ylpyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 189.05383 Da
Monoisotopic Mass: 0.3
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]+	190.06111	138.7
[M+Na]+	212.04305	151.5
[M+NH4]+	207.08765	145.4
[M+K]+	228.01699	148.4
[M-H]-	188.04655	139.5
[M+Na-2H]-	210.02850	146.2
[M]+	189.05328	140.5
[M]-	189.05438	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe