CID 10910

2-propanesulfonic acid, 2-hydroxy-

Structural Information

Molecular Formula
C3H8O4S
SMILES
CC(C)(O)S(=O)(=O)O
InChI
InChI=1S/C3H8O4S/c1-3(2,4)8(5,6)7/h4H,1-2H3,(H,5,6,7)
InChIKey
WCBWZBSYSCYPTM-UHFFFAOYSA-N
Compound name
2-hydroxypropane-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3154
Patents

140.01433 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.02161 128.0
[M+Na]+ 163.00355 135.9
[M+NH4]+ 158.04815 134.1
[M+K]+ 178.97749 132.5
[M-H]- 139.00705 124.0
[M+Na-2H]- 160.98900 129.2
[M]+ 140.01378 128.2
[M]- 140.01488 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe