CID 249619

1115-06-6

Structural Information

Molecular Formula

C₆H₁₂N₂OS₃

SMILES

CN(C)C(=O)SSC(=S)N(C)C

InChI

InChI=1S/C6H12N2OS3/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3

InChIKey

HXUATFGAHUOFRN-UHFFFAOYSA-N

Compound name

S-(dimethylcarbamothioylsulfanyl) N,N-dimethylcarbamothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 224.01117 Da
Monoisotopic Mass: 1.1
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]+	225.01845	146.8
[M+Na]+	247.00039	151.7
[M-H]-	223.00389	148.5
[M+NH4]+	242.04499	165.4
[M+K]+	262.97433	148.8
[M+H-H2O]+	207.00843	139.6
[M+HCOO]-	269.00937	153.0
[M+CH3COO]-	283.02502	196.4
[M+Na-2H]-	244.98584	144.5
[M]+	224.01062	148.8
[M]-	224.01172	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe