CID 17576

Potassium methylxanthate

Structural Information

Molecular Formula
C2H4OS2
SMILES
COC(=S)S
InChI
InChI=1S/C2H4OS2/c1-3-2(4)5/h1H3,(H,4,5)
InChIKey
YSTDSWVFMNLAHU-UHFFFAOYSA-N
Compound name
methoxymethanedithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5256
Patents

107.97036 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.97764 114.8
[M+Na]+ 130.95958 123.5
[M-H]- 106.96308 115.8
[M+NH4]+ 126.00418 138.3
[M+K]+ 146.93352 122.0
[M+H-H2O]+ 90.967620 110.5
[M+HCOO]- 152.96856 127.6
[M+CH3COO]- 166.98421 165.6
[M+Na-2H]- 128.94503 116.4
[M]+ 107.96981 117.2
[M]- 107.97091 117.2
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