CID 26253

13749-59-2

Structural Information

Molecular Formula

C₁₀H₂₀N₂S₂

SMILES

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

InChI

InChI=1S/C10H20N2S2/c1-5-11(6-2)9(13)10(14)12(7-3)8-4/h5-8H2,1-4H3

InChIKey

ADIGJLGLVMQTSX-UHFFFAOYSA-N

Compound name

N,N,N',N'-tetraethylethanedithioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 232.1068 Da
Monoisotopic Mass: 2.3
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]+	233.114076	154.1
[M+Na]+	255.096018	158.1
[M-H]-	231.099524	156.3
[M+NH4]+	250.140623	173.1
[M+K]+	271.069958	156.2
[M+H-H2O]+	215.104060	146.9
[M+HCOO]-	277.105001	165.6
[M+CH3COO]-	291.120651	202.1
[M+Na-2H]-	253.081466	150.7
[M]+	232.10625142	157.4
[M]-	232.10734858	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe