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: 13
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]+	179.084876	134.4
[M+Na]+	201.066818	142.4
[M-H]-	177.070324	136.7
[M+NH4]+	196.111423	157.2
[M+K]+	217.040758	140.9
[M+H-H2O]+	161.074860	129.3
[M+HCOO]-	223.075801	152.9
[M+CH3COO]-	237.091451	177.5
[M+Na-2H]-	199.052266	137.7
[M]+	178.07705142	135.3
[M]-	178.07814858	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe