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: 44
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]+	165.069226	130.5
[M+Na]+	187.051168	139.0
[M-H]-	163.054674	132.5
[M+NH4]+	182.095773	153.6
[M+K]+	203.025108	137.3
[M+H-H2O]+	147.059210	125.6
[M+HCOO]-	209.060151	148.7
[M+CH3COO]-	223.075801	173.8
[M+Na-2H]-	185.036616	133.3
[M]+	164.06140142	130.0
[M]-	164.06249858	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe