CID 129818696

Selenium aspartate

Structural Information

Molecular Formula

C₄H₅NO₄Se

SMILES

C1[C@H](C(=O)O[Se]OC1=O)N

InChI

InChI=1S/C4H5NO4Se/c5-2-1-3(6)8-10-9-4(2)7/h2H,1,5H2/t2-/m1/s1

InChIKey

AXKRBRBGOVYDGJ-UWTATZPHSA-N

Compound name

(5R)-5-amino-1,3,2-dioxaselenepane-4,7-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.93839 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]+	211.945666	132.3
[M+Na]+	233.927608	137.0
[M-H]-	209.931114	137.3
[M+NH4]+	228.972213	148.5
[M+K]+	249.901548	143.3
[M+H-H2O]+	193.935650	126.5
[M+HCOO]-	255.936591	152.0
[M+CH3COO]-	269.952241	178.0
[M+Na-2H]-	231.913056	138.0
[M]+	210.93784142	127.9
[M]-	210.93893858	127.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.