CID 4173923

2245-12-7

Structural Information

Molecular Formula

C₄H₆N₂S₃

SMILES

CN1C(=S)SC(=S)N1C

InChI

InChI=1S/C4H6N2S3/c1-5-3(7)9-4(8)6(5)2/h1-2H3

InChIKey

JRAGPVKMVUMNAR-UHFFFAOYSA-N

Compound name

3,4-dimethyl-1,3,4-thiadiazolidine-2,5-dithione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 177.96931 Da
Monoisotopic Mass: 1.6
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]+	178.97659	128.5
[M+Na]+	200.95853	141.9
[M-H]-	176.96203	130.5
[M+NH4]+	196.00313	149.2
[M+K]+	216.93247	135.9
[M+H-H2O]+	160.96657	123.8
[M+HCOO]-	222.96751	136.0
[M+CH3COO]-	236.98316	178.7
[M+Na-2H]-	198.94398	126.5
[M]+	177.96876	130.5
[M]-	177.96986	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe