CID 440763

2-amino-4-selenobutanoic acid

Structural Information

Molecular Formula

C₄H₉NO₂Se

SMILES

C(C[SeH])C(C(=O)O)N

InChI

InChI=1S/C4H9NO2Se/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)

InChIKey

RCWCGLALNCIQNM-UHFFFAOYSA-N

Compound name

2-amino-4-selanylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 52
Patents: 182.97984 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]+	183.98712	137.4
[M+Na]+	205.96906	143.1
[M-H]-	181.97256	135.4
[M+NH4]+	201.01366	157.9
[M+K]+	221.94300	142.6
[M+H-H2O]+	165.97710	132.1
[M+HCOO]-	227.97804	158.4
[M+CH3COO]-	241.99369	172.7
[M+Na-2H]-	203.95451	139.7
[M]+	182.97929	135.4
[M]-	182.98039	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe