CID 434337

Nsc348706

Structural Information

Molecular Formula

C₇H₉NO₂Se

SMILES

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

InChI

InChI=1S/C7H9NO2Se/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)

InChIKey

CJQYBMCOYFASBC-UHFFFAOYSA-N

Compound name

2-amino-3-selenophen-2-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 218.97984 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]+	219.98712	145.4
[M+Na]+	241.96906	151.0
[M-H]-	217.97256	146.7
[M+NH4]+	237.01366	166.0
[M+K]+	257.94300	149.2
[M+H-H2O]+	201.97710	139.2
[M+HCOO]-	263.97804	167.8
[M+CH3COO]-	277.99369	177.1
[M+Na-2H]-	239.95451	146.7
[M]+	218.97929	142.7
[M]-	218.98039	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe