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

744
Patents

140.01433 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.02161 124.4
[M+Na]+ 163.00355 132.2
[M-H]- 139.00705 122.5
[M+NH4]+ 158.04815 144.9
[M+K]+ 178.97749 131.1
[M+H-H2O]+ 123.01159 120.6
[M+HCOO]- 185.01253 139.3
[M+CH3COO]- 199.02818 164.2
[M+Na-2H]- 160.98900 128.1
[M]+ 140.01378 126.0
[M]- 140.01488 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