CID 200773

Selenosulfuric acid, 2-aminoethyl ester

Structural Information

Molecular Formula

C₂H₇NO₃SSe

SMILES

C(C[Se]S(=O)(=O)O)N

InChI

InChI=1S/C2H7NO3SSe/c3-1-2-8-7(4,5)6/h1-3H2,(H,4,5,6)

InChIKey

HEYYGOQPGOOCSP-UHFFFAOYSA-N

Compound name

1-amino-2-sulfoselanylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 204.93118 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]+	205.93846	137.2
[M+Na]+	227.92040	144.4
[M-H]-	203.92390	135.5
[M+NH4]+	222.96500	157.3
[M+K]+	243.89434	142.4
[M+H-H2O]+	187.92844	132.0
[M+HCOO]-	249.92938	154.0
[M+CH3COO]-	263.94503	170.4
[M+Na-2H]-	225.90585	140.4
[M]+	204.93063	137.9
[M]-	204.93173	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe