CID 410088

1-hydroxy-2-propanesulfonic acid

Structural Information

Molecular Formula
C3H8O4S
SMILES
CC(CO)S(=O)(=O)O
InChI
InChI=1S/C3H8O4S/c1-3(2-4)8(5,6)7/h3-4H,2H2,1H3,(H,5,6,7)
InChIKey
KDKIWFRRJZZYRP-UHFFFAOYSA-N
Compound name
1-hydroxypropane-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

779
Patents

140.01433 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.021606 124.4
[M+Na]+ 163.003548 132.2
[M-H]- 139.007054 122.5
[M+NH4]+ 158.048153 144.9
[M+K]+ 178.977488 131.1
[M+H-H2O]+ 123.011590 120.6
[M+HCOO]- 185.012531 139.3
[M+CH3COO]- 199.028181 164.2
[M+Na-2H]- 160.988996 128.1
[M]+ 140.01378142 126.0
[M]- 140.01487858 126.0
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