CID 84652174

2243514-92-1

Structural Information

Molecular Formula

C₅H₁₁NO₃S

SMILES

C1C(CS1(=O)=O)(CCO)N

InChI

InChI=1S/C5H11NO3S/c6-5(1-2-7)3-10(8,9)4-5/h7H,1-4,6H2

InChIKey

QQZYMXZAWMIWPB-UHFFFAOYSA-N

Compound name

2-(3-amino-1,1-dioxothietan-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.04596 Da
Monoisotopic Mass: -1.5
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]+	166.05324	131.1
[M+Na]+	188.03518	134.7
[M+NH4]+	183.07978	136.9
[M+K]+	204.00912	128.0
[M-H]-	164.03868	128.1
[M+Na-2H]-	186.02063	134.5
[M]+	165.04541	130.0
[M]-	165.04651	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.