CID 5830

51-82-1

Structural Information

Molecular Formula

C₆H₁₄N₂S₂

SMILES

CN(C)CSC(=S)N(C)C

InChI

InChI=1S/C6H14N2S2/c1-7(2)5-10-6(9)8(3)4/h5H2,1-4H3

InChIKey

WGPLCRLRYUGWKC-UHFFFAOYSA-N

Compound name

(dimethylamino)methyl N,N-dimethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 178.05984 Da
Monoisotopic Mass: 1.4
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]+	179.06712	137.4
[M+Na]+	201.04906	143.0
[M-H]-	177.05256	140.2
[M+NH4]+	196.09366	158.6
[M+K]+	217.02300	142.2
[M+H-H2O]+	161.05710	130.8
[M+HCOO]-	223.05804	151.0
[M+CH3COO]-	237.07369	191.1
[M+Na-2H]-	199.03451	136.7
[M]+	178.05929	140.6
[M]-	178.06039	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe