CID 29372

18997-75-6

Structural Information

Molecular Formula

C₆H₁₄N₂S₂

SMILES

CN(C)CCN(C)C(=S)S

InChI

InChI=1S/C6H14N2S2/c1-7(2)4-5-8(3)6(9)10/h4-5H2,1-3H3,(H,9,10)

InChIKey

GITCCQFMTCHPAC-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl-methylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 178.05984 Da
Monoisotopic Mass: 0.9
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	137.2
[M+Na]+	201.04906	142.7
[M-H]-	177.05256	140.0
[M+NH4]+	196.09366	158.4
[M+K]+	217.02300	142.0
[M+H-H2O]+	161.05710	130.6
[M+HCOO]-	223.05804	150.8
[M+CH3COO]-	237.07369	191.7
[M+Na-2H]-	199.03451	136.6
[M]+	178.05929	140.5
[M]-	178.06039	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe