CID 79392

Propane-2-sulfonate

Structural Information

Molecular Formula
C3H8O3S
SMILES
CC(C)S(=O)(=O)O
InChI
InChI=1S/C3H8O3S/c1-3(2)7(4,5)6/h3H,1-2H3,(H,4,5,6)
InChIKey
HNDXKIMMSFCCFW-UHFFFAOYSA-N
Compound name
propane-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

7959
Patents

124.01942 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.02670 120.5
[M+Na]+ 147.00864 129.0
[M-H]- 123.01214 120.2
[M+NH4]+ 142.05324 142.6
[M+K]+ 162.98258 128.4
[M+H-H2O]+ 107.01668 116.8
[M+HCOO]- 169.01762 136.7
[M+CH3COO]- 183.03327 164.7
[M+Na-2H]- 144.99409 124.6
[M]+ 124.01887 122.6
[M]- 124.01997 122.6
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