CID 16778360

6-[methyl(phenyl)amino]pyridine-3-carboxylic acid

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C13H12N2O2/c1-15(11-5-3-2-4-6-11)12-8-7-10(9-14-12)13(16)17/h2-9H,1H3,(H,16,17)

InChIKey

KOTLJYPXQMUZTK-UHFFFAOYSA-N

Compound name

6-(N-methylanilino)pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 228.08987 Da
Monoisotopic Mass: 2.4
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]+	229.097146	149.3
[M+Na]+	251.079088	156.0
[M-H]-	227.082594	154.8
[M+NH4]+	246.123693	165.1
[M+K]+	267.053028	153.6
[M+H-H2O]+	211.087130	140.9
[M+HCOO]-	273.088071	172.3
[M+CH3COO]-	287.103721	192.6
[M+Na-2H]-	249.064536	155.3
[M]+	228.08932142	149.1
[M]-	228.09041858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe