CID 3003256

Ethanedithioamide, n,n-diethyl-

Structural Information

Molecular Formula

C₆H₁₂N₂S₂

SMILES

CCN(CC)C(=S)C(=S)N

InChI

InChI=1S/C6H12N2S2/c1-3-8(4-2)6(10)5(7)9/h3-4H2,1-2H3,(H2,7,9)

InChIKey

AMWWXNRKVXNKSO-UHFFFAOYSA-N

Compound name

N',N'-diethylethanedithioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 176.04419 Da
Monoisotopic Mass: 1.0
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]+	177.05147	137.0
[M+Na]+	199.03341	142.4
[M-H]-	175.03691	137.7
[M+NH4]+	194.07801	157.1
[M+K]+	215.00735	139.6
[M+H-H2O]+	159.04145	130.7
[M+HCOO]-	221.04239	148.6
[M+CH3COO]-	235.05804	186.8
[M+Na-2H]-	197.01886	134.9
[M]+	176.04364	136.5
[M]-	176.04474	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe