CID 64146978

Ethyl 2-amino-4-(pyridin-4-yl)butanoate

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

CCOC(=O)C(CCC1=CC=NC=C1)N

InChI

InChI=1S/C11H16N2O2/c1-2-15-11(14)10(12)4-3-9-5-7-13-8-6-9/h5-8,10H,2-4,12H2,1H3

InChIKey

JHIKUUJJSIPFSN-UHFFFAOYSA-N

Compound name

ethyl 2-amino-4-pyridin-4-ylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.12119 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]+	209.128466	148.2
[M+Na]+	231.110408	153.6
[M-H]-	207.113914	149.5
[M+NH4]+	226.155013	164.9
[M+K]+	247.084348	152.1
[M+H-H2O]+	191.118450	140.7
[M+HCOO]-	253.119391	169.9
[M+CH3COO]-	267.135041	188.4
[M+Na-2H]-	229.095856	152.1
[M]+	208.12064142	148.4
[M]-	208.12173858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.