CID 17633

Potassium propyl xanthate

Structural Information

Molecular Formula
C4H8OS2
SMILES
CCCOC(=S)S
InChI
InChI=1S/C4H8OS2/c1-2-3-5-4(6)7/h2-3H2,1H3,(H,6,7)
InChIKey
SSFPHCKFUBEAKZ-UHFFFAOYSA-N
Compound name
propoxymethanedithioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

640
Patents

136.00166 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.008936 123.4
[M+Na]+ 158.990878 131.3
[M-H]- 134.994384 124.1
[M+NH4]+ 154.035483 145.8
[M+K]+ 174.964818 129.3
[M+H-H2O]+ 118.998920 118.7
[M+HCOO]- 180.999861 135.6
[M+CH3COO]- 195.015511 171.5
[M+Na-2H]- 156.976326 124.1
[M]+ 136.00111142 126.6
[M]- 136.00220858 126.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe