CID 200361

3-(2-aminoethyl)-1lambda6-thiolane-1,1-dione hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₂S

SMILES

C1CS(=O)(=O)CC1CCN

InChI

InChI=1S/C6H13NO2S/c7-3-1-6-2-4-10(8,9)5-6/h6H,1-5,7H2

InChIKey

JYDUHWBQZJDLJP-UHFFFAOYSA-N

Compound name

2-(1,1-dioxothiolan-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 29
Patents: 163.0667 Da
Monoisotopic Mass: -0.6
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]+	164.07398	131.4
[M+Na]+	186.05592	139.5
[M-H]-	162.05942	134.7
[M+NH4]+	181.10052	155.9
[M+K]+	202.02986	137.5
[M+H-H2O]+	146.06396	127.3
[M+HCOO]-	208.06490	150.5
[M+CH3COO]-	222.08055	174.2
[M+Na-2H]-	184.04137	133.8
[M]+	163.06615	130.8
[M]-	163.06725	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe