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

2370
Patents

140.01433 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.021606 124.8
[M+Na]+ 163.003548 133.2
[M-H]- 139.007054 123.1
[M+NH4]+ 158.048153 145.4
[M+K]+ 178.977488 132.0
[M+H-H2O]+ 123.011590 121.5
[M+HCOO]- 185.012531 139.2
[M+CH3COO]- 199.028181 163.7
[M+Na-2H]- 160.988996 130.5
[M]+ 140.01378142 126.4
[M]- 140.01487858 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