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

3242
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 124.8
[M+Na]+ 163.00355 133.2
[M-H]- 139.00705 123.1
[M+NH4]+ 158.04815 145.4
[M+K]+ 178.97749 132.0
[M+H-H2O]+ 123.01159 121.5
[M+HCOO]- 185.01253 139.2
[M+CH3COO]- 199.02818 163.7
[M+Na-2H]- 160.98900 130.5
[M]+ 140.01378 126.4
[M]- 140.01488 126.4
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