CID 105836

Disodium mercaptomethanesulfonate

Structural Information

Molecular Formula
CH4O3S2
SMILES
C(S)S(=O)(=O)O
InChI
InChI=1S/CH4O3S2/c2-6(3,4)1-5/h5H,1H2,(H,2,3,4)
InChIKey
DWGGYBRHFHGTBF-UHFFFAOYSA-N
Compound name
sulfanylmethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

194
Patents

127.96019 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.96747 119.7
[M+Na]+ 150.94941 128.7
[M-H]- 126.95291 119.1
[M+NH4]+ 145.99401 141.4
[M+K]+ 166.92335 126.3
[M+H-H2O]+ 110.95745 115.6
[M+HCOO]- 172.95839 131.5
[M+CH3COO]- 186.97404 163.1
[M+Na-2H]- 148.93486 123.1
[M]+ 127.95964 122.1
[M]- 127.96074 122.1
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