CID 213677

26864-90-4

Structural Information

Molecular Formula

C₁₀H₂₀N₂S₂

SMILES

CCC(C)N1CCN(C(C1)C)C(=S)S

InChI

InChI=1S/C10H20N2S2/c1-4-8(2)11-5-6-12(10(13)14)9(3)7-11/h8-9H,4-7H2,1-3H3,(H,13,14)

InChIKey

RORQYUJQCDKUNS-UHFFFAOYSA-N

Compound name

4-butan-2-yl-2-methylpiperazine-1-carbodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 232.1068 Da
Monoisotopic Mass: 2.5
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	149.2
[M+Na]+	255.096018	154.9
[M-H]-	231.099524	149.2
[M+NH4]+	250.140623	165.5
[M+K]+	271.069958	151.3
[M+H-H2O]+	215.104060	142.7
[M+HCOO]-	277.105001	153.6
[M+CH3COO]-	291.120651	191.8
[M+Na-2H]-	253.081466	145.1
[M]+	232.10625142	148.1
[M]-	232.10734858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe