CID 4436717

33560-87-1

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CCOC(=O)C(CC1=CC=CC=N1)N

InChI

InChI=1S/C10H14N2O2/c1-2-14-10(13)9(11)7-8-5-3-4-6-12-8/h3-6,9H,2,7,11H2,1H3

InChIKey

DMDWQEOYYRXMOC-UHFFFAOYSA-N

Compound name

ethyl 2-amino-3-pyridin-2-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 194.10553 Da
Monoisotopic Mass: 0.5
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]+	195.11281	143.6
[M+Na]+	217.09475	149.4
[M-H]-	193.09825	145.0
[M+NH4]+	212.13935	160.9
[M+K]+	233.06869	148.2
[M+H-H2O]+	177.10279	136.3
[M+HCOO]-	239.10373	165.6
[M+CH3COO]-	253.11938	185.3
[M+Na-2H]-	215.08020	148.1
[M]+	194.10498	143.4
[M]-	194.10608	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe