CID 2050105

5-(dimethylamino)nicotinic acid

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

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

InChI

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

InChIKey

BZUPYORMYVQEMK-UHFFFAOYSA-N

Compound name

5-(dimethylamino)pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 1
Patents: 166.07423 Da
Monoisotopic Mass: 0.5
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]+	167.08151	133.7
[M+Na]+	189.06345	145.2
[M+NH4]+	184.10805	141.1
[M+K]+	205.03739	140.8
[M-H]-	165.06695	134.9
[M+Na-2H]-	187.04890	140.0
[M]+	166.07368	135.5
[M]-	166.07478	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe