CID 4738517

32399-13-6

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

CNC1=C(C=CC=N1)C(=O)O

InChI

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

InChIKey

SMYTUBMIBZOXTH-UHFFFAOYSA-N

Compound name

2-(methylamino)pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 152.05858 Da
Monoisotopic Mass: 1.2
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	128.9
[M+Na]+	175.04780	136.8
[M-H]-	151.05130	130.4
[M+NH4]+	170.09240	147.8
[M+K]+	191.02174	135.2
[M+H-H2O]+	135.05584	122.6
[M+HCOO]-	197.05678	152.1
[M+CH3COO]-	211.07243	175.3
[M+Na-2H]-	173.03325	136.2
[M]+	152.05803	127.9
[M]-	152.05913	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe