CID 129982016

1824465-73-7

Structural Information

Molecular Formula

C₅H₁₂N₂O₂S

SMILES

CN1C(CCS1(=O)=O)CN

InChI

InChI=1S/C5H12N2O2S/c1-7-5(4-6)2-3-10(7,8)9/h5H,2-4,6H2,1H3

InChIKey

OXNDZRMJSBSWLA-UHFFFAOYSA-N

Compound name

(2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.06195 Da
Monoisotopic Mass: -1.2
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	129.8
[M+Na]+	187.05117	139.2
[M-H]-	163.05467	132.2
[M+NH4]+	182.09577	153.2
[M+K]+	203.02511	137.4
[M+H-H2O]+	147.05921	125.3
[M+HCOO]-	209.06015	147.9
[M+CH3COO]-	223.07580	175.0
[M+Na-2H]-	185.03662	132.0
[M]+	164.06140	129.7
[M]-	164.06250	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.