CID 12263992

2-amino-6-chloronicotinic acid

Structural Information

Molecular Formula

C₆H₅ClN₂O₂

SMILES

C1=CC(=NC(=C1C(=O)O)N)Cl

InChI

InChI=1S/C6H5ClN2O2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2H,(H2,8,9)(H,10,11)

InChIKey

INERBKPRIWEQRQ-UHFFFAOYSA-N

Compound name

2-amino-6-chloropyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 458
Patents: 172.00395 Da
Monoisotopic Mass: 1.5
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]+	173.01123	130.1
[M+Na]+	194.99317	140.1
[M-H]-	170.99667	131.4
[M+NH4]+	190.03777	149.1
[M+K]+	210.96711	136.5
[M+H-H2O]+	155.00121	125.2
[M+HCOO]-	217.00215	148.4
[M+CH3COO]-	231.01780	176.7
[M+Na-2H]-	192.97862	135.6
[M]+	172.00340	130.1
[M]-	172.00450	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe