CID 5256168

Methanethiosulfonate

Structural Information

Molecular Formula
CH4O2S2
SMILES
CS(=O)(=S)O
InChI
InChI=1S/CH4O2S2/c1-5(2,3)4/h1H3,(H,2,3,4)
InChIKey
FHBSGPWHCCIQPG-UHFFFAOYSA-N
Compound name
hydroxy-methyl-oxo-sulfanylidene-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

371
References

2049
Patents

111.96527 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.97255 116.1
[M+Na]+ 134.95449 125.3
[M-H]- 110.95799 115.7
[M+NH4]+ 129.99909 138.6
[M+K]+ 150.92843 122.6
[M+H-H2O]+ 94.962530 112.3
[M+HCOO]- 156.96347 127.7
[M+CH3COO]- 170.97912 161.1
[M+Na-2H]- 132.93994 119.3
[M]+ 111.96472 117.1
[M]- 111.96582 117.1
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