CID 419744

6-acetamidonicotinic acid

Structural Information

Molecular Formula

C₈H₈N₂O₃

SMILES

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

InChI

InChI=1S/C8H8N2O3/c1-5(11)10-7-3-2-6(4-9-7)8(12)13/h2-4H,1H3,(H,12,13)(H,9,10,11)

InChIKey

RXSLHYTZMIUANX-UHFFFAOYSA-N

Compound name

6-acetamidopyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 154
Patents: 180.0535 Da
Monoisotopic Mass: -0.1
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]+	181.06078	136.6
[M+Na]+	203.04272	147.1
[M+NH4]+	198.08732	142.7
[M+K]+	219.01666	143.4
[M-H]-	179.04622	136.5
[M+Na-2H]-	201.02817	141.6
[M]+	180.05295	137.6
[M]-	180.05405	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe