CID 139595272

Tdl-so

Structural Information

Molecular Formula

C₄H₈N₂OS₂

SMILES

CN1CN(S(=O)C1=S)C

InChI

InChI=1S/C4H8N2OS2/c1-5-3-6(2)9(7)4(5)8/h3H2,1-2H3

InChIKey

HOPKVDKGIOBAEK-UHFFFAOYSA-N

Compound name

2,4-dimethyl-1-oxo-1,2,4-thiadiazolidine-5-thione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 164.00781 Da
Monoisotopic Mass: 0.3
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]+	165.01509	129.1
[M+Na]+	186.99703	140.3
[M-H]-	163.00053	130.9
[M+NH4]+	182.04163	150.4
[M+K]+	202.97097	137.3
[M+H-H2O]+	147.00507	124.1
[M+HCOO]-	209.00601	140.1
[M+CH3COO]-	223.02166	175.2
[M+Na-2H]-	184.98248	127.2
[M]+	164.00726	130.5
[M]-	164.00836	130.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.