CID 25581

Potassium isobutylxanthate

Structural Information

Molecular Formula

C₅H₁₀OS₂

SMILES

CC(C)COC(=S)S

InChI

InChI=1S/C5H10OS2/c1-4(2)3-6-5(7)8/h4H,3H2,1-2H3,(H,7,8)

InChIKey

KOVPITHBHSZRLT-UHFFFAOYSA-N

Compound name

2-methylpropoxymethanedithioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 749
Patents: 150.0173 Da
Monoisotopic Mass: 2.6
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]+	151.02458	131.1
[M+Na]+	173.00652	140.2
[M+NH4]+	168.05112	140.0
[M+K]+	188.98046	131.8
[M-H]-	149.01002	131.0
[M+Na-2H]-	170.99197	133.0
[M]+	150.01675	133.2
[M]-	150.01785	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe