CID 21998699

246219-78-3

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C9H12N2O2/c1-9(2,8(12)13)6-3-4-7(10)11-5-6/h3-5H,1-2H3,(H2,10,11)(H,12,13)

InChIKey

XFQKWWXKWWWYRH-UHFFFAOYSA-N

Compound name

2-(6-aminopyridin-3-yl)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 180.08987 Da
Monoisotopic Mass: 0.9
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]+	181.09715	138.8
[M+Na]+	203.07909	146.3
[M-H]-	179.08259	139.7
[M+NH4]+	198.12369	156.4
[M+K]+	219.05303	144.3
[M+H-H2O]+	163.08713	132.8
[M+HCOO]-	225.08807	159.0
[M+CH3COO]-	239.10372	181.1
[M+Na-2H]-	201.06454	144.6
[M]+	180.08932	137.0
[M]-	180.09042	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe