CID 43619975

1190044-24-6

Structural Information

Molecular Formula

C₅H₁₂N₂O₂S

SMILES

C1CN(S(=O)(=O)C1)CCN

InChI

InChI=1S/C5H12N2O2S/c6-2-4-7-3-1-5-10(7,8)9/h1-6H2

InChIKey

WFUZELMUSFRVKO-UHFFFAOYSA-N

Compound name

2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 164.06195 Da
Monoisotopic Mass: -1.3
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]+	165.06923	130.5
[M+Na]+	187.05117	139.0
[M-H]-	163.05467	132.5
[M+NH4]+	182.09577	153.6
[M+K]+	203.02511	137.3
[M+H-H2O]+	147.05921	125.6
[M+HCOO]-	209.06015	148.7
[M+CH3COO]-	223.07580	173.8
[M+Na-2H]-	185.03662	133.3
[M]+	164.06140	130.0
[M]-	164.06250	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe