CID 28400003

6-(isopropylamino)nicotinic acid

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

CC(C)NC1=NC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H12N2O2/c1-6(2)11-8-4-3-7(5-10-8)9(12)13/h3-6H,1-2H3,(H,10,11)(H,12,13)

InChIKey

ORJYNQYULBKEFU-UHFFFAOYSA-N

Compound name

6-(propan-2-ylamino)pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 180.08987 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]+	181.09715	138.7
[M+Na]+	203.07909	149.4
[M+NH4]+	198.12369	145.6
[M+K]+	219.05303	145.1
[M-H]-	179.08259	139.3
[M+Na-2H]-	201.06454	144.1
[M]+	180.08932	140.1
[M]-	180.09042	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe