CID 23454818

2-(ethylamino)isonicotinic acid

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CCNC1=NC=CC(=C1)C(=O)O

InChI

InChI=1S/C8H10N2O2/c1-2-9-7-5-6(8(11)12)3-4-10-7/h3-5H,2H2,1H3,(H,9,10)(H,11,12)

InChIKey

HFGOWYHBNSTZBF-UHFFFAOYSA-N

Compound name

2-(ethylamino)pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 166.07423 Da
Monoisotopic Mass: 1.1
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]+	167.08151	134.2
[M+Na]+	189.06345	145.4
[M+NH4]+	184.10805	141.3
[M+K]+	205.03739	140.4
[M-H]-	165.06695	135.0
[M+Na-2H]-	187.04890	140.2
[M]+	166.07368	135.7
[M]-	166.07478	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe