CID 17637

Potassium hexylxanthate

Structural Information

Molecular Formula

C₇H₁₄OS₂

SMILES

CCCCCCOC(=S)S

InChI

InChI=1S/C7H14OS2/c1-2-3-4-5-6-8-7(9)10/h2-6H2,1H3,(H,9,10)

InChIKey

IDTYIZVHFFKWAD-UHFFFAOYSA-N

Compound name

hexoxymethanedithioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 495
Patents: 178.04861 Da
Monoisotopic Mass: 3.6
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]+	179.05589	138.9
[M+Na]+	201.03783	148.0
[M+NH4]+	196.08243	147.6
[M+K]+	217.01177	138.4
[M-H]-	177.04133	139.0
[M+Na-2H]-	199.02328	140.7
[M]+	178.04806	141.1
[M]-	178.04916	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe