CID 42614495

1197231-86-9

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

COC(=O)CC(C1=CC=CC=N1)N

InChI

InChI=1S/C9H12N2O2/c1-13-9(12)6-7(10)8-4-2-3-5-11-8/h2-5,7H,6,10H2,1H3

InChIKey

RDWYWFGIODKUFS-UHFFFAOYSA-N

Compound name

methyl 3-amino-3-pyridin-2-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 180.08987 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]+	181.09715	138.7
[M+Na]+	203.07909	149.3
[M+NH4]+	198.12369	145.8
[M+K]+	219.05303	144.7
[M-H]-	179.08259	139.6
[M+Na-2H]-	201.06454	144.5
[M]+	180.08932	140.2
[M]-	180.09042	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe