CID 56828150

1249944-84-0

Structural Information

Molecular Formula

C₆H₁₄N₂O₂S

SMILES

CNCCN1CCCS1(=O)=O

InChI

InChI=1S/C6H14N2O2S/c1-7-3-5-8-4-2-6-11(8,9)10/h7H,2-6H2,1H3

InChIKey

LGIOLHULYAJXHH-UHFFFAOYSA-N

Compound name

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 178.0776 Da
Monoisotopic Mass: -0.8
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]+	179.08488	134.4
[M+Na]+	201.06682	142.4
[M-H]-	177.07032	136.7
[M+NH4]+	196.11142	157.2
[M+K]+	217.04076	140.9
[M+H-H2O]+	161.07486	129.3
[M+HCOO]-	223.07580	152.9
[M+CH3COO]-	237.09145	177.5
[M+Na-2H]-	199.05227	137.7
[M]+	178.07705	135.3
[M]-	178.07815	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe