CID 656446

2-hydroxy-3-sulfopropanoic acid

Structural Information

Molecular Formula
C3H6O6S
SMILES
C(C(C(=O)O)O)S(=O)(=O)O
InChI
InChI=1S/C3H6O6S/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)
InChIKey
CQQGIWJSICOUON-UHFFFAOYSA-N
Compound name
2-hydroxy-3-sulfopropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

68
Patents

169.98851 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.99579 132.1
[M+Na]+ 192.97773 138.0
[M+NH4]+ 188.02233 136.3
[M+K]+ 208.95167 136.5
[M-H]- 168.98123 126.3
[M+Na-2H]- 190.96318 131.2
[M]+ 169.98796 131.1
[M]- 169.98906 131.1
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