CID 6411

Hydroxymethanesulfonic acid

Structural Information

Molecular Formula
CH4O4S
SMILES
C(O)S(=O)(=O)O
InChI
InChI=1S/CH4O4S/c2-1-6(3,4)5/h2H,1H2,(H,3,4,5)
InChIKey
DETXZQGDWUJKMO-UHFFFAOYSA-N
Compound name
hydroxymethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

18
References

13420
Patents

111.98303 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.990306 115.6
[M+Na]+ 134.972248 124.6
[M-H]- 110.975754 114.0
[M+NH4]+ 130.016853 137.3
[M+K]+ 150.946188 123.4
[M+H-H2O]+ 94.980290 112.1
[M+HCOO]- 156.981231 132.2
[M+CH3COO]- 170.996881 157.2
[M+Na-2H]- 132.957696 121.3
[M]+ 111.98248142 117.0
[M]- 111.98357858 117.0
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