CID 145924

Seleno-d,l-ethionine

Structural Information

Molecular Formula

C₆H₁₃NO₂Se

SMILES

CC[Se]CCC(C(=O)O)N

InChI

InChI=1S/C6H13NO2Se/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)

InChIKey

ALIZQKUHKVLOFI-UHFFFAOYSA-N

Compound name

2-amino-4-ethylselanylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 211.01115 Da
Monoisotopic Mass: None
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]+	212.01843	142.5
[M+Na]+	234.00037	149.8
[M+NH4]+	229.04497	148.7
[M+K]+	249.97431	145.7
[M-H]-	210.00387	140.7
[M+Na-2H]-	231.98582	143.4
[M]+	211.01060	142.5
[M]-	211.01170	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe