CID 3032825

26818-53-1

Structural Information

Molecular Formula

C₁₀H₂₀N₂S₂

SMILES

CCC(C)NC(=S)C(=S)NC(C)CC

InChI

InChI=1S/C10H20N2S2/c1-5-7(3)11-9(13)10(14)12-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14)

InChIKey

SWSRADGPGOTAJT-UHFFFAOYSA-N

Compound name

N,N'-di(butan-2-yl)ethanedithioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 232.1068 Da
Monoisotopic Mass: 3.1
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]+	233.114076	154.1
[M+Na]+	255.096018	157.1
[M-H]-	231.099524	153.2
[M+NH4]+	250.140623	171.6
[M+K]+	271.069958	153.4
[M+H-H2O]+	215.104060	147.4
[M+HCOO]-	277.105001	162.6
[M+CH3COO]-	291.120651	196.9
[M+Na-2H]-	253.081466	149.9
[M]+	232.10625142	153.6
[M]-	232.10734858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe