CID 9834704

Se-phenyl-l-selenocysteine

Structural Information

Molecular Formula

C₉H₁₁NO₂Se

SMILES

C1=CC=C(C=C1)[Se]C[C@@H](C(=O)O)N

InChI

InChI=1S/C9H11NO2Se/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1

InChIKey

PFLVUZBNZZOUSS-QMMMGPOBSA-N

Compound name

(2R)-2-amino-3-phenylselanylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 244.9955 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]+	246.00278	149.3
[M+Na]+	267.98472	159.0
[M+NH4]+	263.02932	156.4
[M+K]+	283.95866	153.7
[M-H]-	243.98822	150.3
[M+Na-2H]-	265.97017	153.8
[M]+	244.99495	150.6
[M]-	244.99605	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe