CID 225652

Tetramethylthiuram trisulfide

Structural Information

Molecular Formula

C₆H₁₂N₂S₅

SMILES

CN(C)C(=S)SSSC(=S)N(C)C

InChI

InChI=1S/C6H12N2S5/c1-7(2)5(9)11-13-12-6(10)8(3)4/h1-4H3

InChIKey

POGCDSBCFBBVFJ-UHFFFAOYSA-N

Compound name

(dimethylcarbamothioyldisulfanyl) N,N-dimethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 271.96042 Da
Monoisotopic Mass: 2.1
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]+	272.96770	161.7
[M+Na]+	294.94964	165.2
[M-H]-	270.95314	159.6
[M+NH4]+	289.99424	175.4
[M+K]+	310.92358	155.5
[M+H-H2O]+	254.95768	153.0
[M+HCOO]-	316.95862	153.9
[M+CH3COO]-	330.97427	207.3
[M+Na-2H]-	292.93509	159.5
[M]+	271.95987	156.1
[M]-	271.96097	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe