CID 57729179

2648939-07-3

Structural Information

Molecular Formula

C₁₀H₁₃FN₂O₂

SMILES

CCOC(=O)C(CC1=CC(=NC=C1)F)N

InChI

InChI=1S/C10H13FN2O2/c1-2-15-10(14)8(12)5-7-3-4-13-9(11)6-7/h3-4,6,8H,2,5,12H2,1H3

InChIKey

SIMJNCKDQLDUSN-UHFFFAOYSA-N

Compound name

ethyl 2-amino-3-(2-fluoropyridin-4-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.0961 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]+	213.10338	145.8
[M+Na]+	235.08532	152.7
[M-H]-	211.08882	146.3
[M+NH4]+	230.12992	162.6
[M+K]+	251.05926	150.9
[M+H-H2O]+	195.09336	137.8
[M+HCOO]-	257.09430	166.8
[M+CH3COO]-	271.10995	189.2
[M+Na-2H]-	233.07077	149.0
[M]+	212.09555	144.9
[M]-	212.09665	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe