CID 145924

Selenoethionine

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: 27
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	146.6
[M+Na]+	234.00037	151.5
[M-H]-	210.00387	144.3
[M+NH4]+	229.04497	166.1
[M+K]+	249.97431	150.5
[M+H-H2O]+	194.00841	141.0
[M+HCOO]-	256.00935	166.9
[M+CH3COO]-	270.02500	178.7
[M+Na-2H]-	231.98582	147.8
[M]+	211.01060	145.4
[M]-	211.01170	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe