CID 215537

2-(cyclohexylamino)nicotinic acid

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

C1CCC(CC1)NC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C12H16N2O2/c15-12(16)10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,13,14)(H,15,16)

InChIKey

INQLAEJSGOOWOP-UHFFFAOYSA-N

Compound name

2-(cyclohexylamino)pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 220.12119 Da
Monoisotopic Mass: 3.1
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]+	221.128466	149.0
[M+Na]+	243.110408	152.9
[M-H]-	219.113914	152.1
[M+NH4]+	238.155013	164.3
[M+K]+	259.084348	150.0
[M+H-H2O]+	203.118450	141.0
[M+HCOO]-	265.119391	167.6
[M+CH3COO]-	279.135041	187.3
[M+Na-2H]-	241.095856	153.3
[M]+	220.12064142	142.9
[M]-	220.12173858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe