CID 45084752

167626-78-0

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

CC1=CC(=CN=C1N)C(=O)O

InChI

InChI=1S/C7H8N2O2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H2,8,9)(H,10,11)

InChIKey

PCTFDWCOJRKBDY-UHFFFAOYSA-N

Compound name

6-amino-5-methylpyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 56
Patents: 152.05858 Da
Monoisotopic Mass: 0.4
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]+	153.06586	129.6
[M+Na]+	175.04780	141.1
[M+NH4]+	170.09240	136.8
[M+K]+	191.02174	136.9
[M-H]-	151.05130	130.4
[M+Na-2H]-	173.03325	135.2
[M]+	152.05803	131.2
[M]-	152.05913	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe