CID 18975826

92767-16-3

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

C1=CN=CC=C1CCC(C(=O)O)N

InChI

InChI=1S/C9H12N2O2/c10-8(9(12)13)2-1-7-3-5-11-6-4-7/h3-6,8H,1-2,10H2,(H,12,13)

InChIKey

WHCQVPISOOTNON-UHFFFAOYSA-N

Compound name

2-amino-4-pyridin-4-ylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 180.08987 Da
Monoisotopic Mass: -2.3
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	139.1
[M+Na]+	203.07909	149.0
[M+NH4]+	198.12369	145.7
[M+K]+	219.05303	144.7
[M-H]-	179.08259	139.4
[M+Na-2H]-	201.06454	144.1
[M]+	180.08932	140.2
[M]-	180.09042	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe