CID 17639

Potassium cyclohexyl xanthate

Structural Information

Molecular Formula

C₇H₁₂OS₂

SMILES

C1CCC(CC1)OC(=S)S

InChI

InChI=1S/C7H12OS2/c9-7(10)8-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10)

InChIKey

ZAEIUGBGNZYPDF-UHFFFAOYSA-N

Compound name

cyclohexyloxymethanedithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 67
Patents: 176.03296 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]+	177.04024	134.7
[M+Na]+	199.02218	140.0
[M-H]-	175.02568	137.4
[M+NH4]+	194.06678	155.2
[M+K]+	214.99612	137.4
[M+H-H2O]+	159.03022	129.4
[M+HCOO]-	221.03116	143.9
[M+CH3COO]-	235.04681	176.7
[M+Na-2H]-	197.00763	134.4
[M]+	176.03241	132.8
[M]-	176.03351	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe