CID 443250

(r)-2-hydroxy-3-sulfopropanoic acid

Structural Information

Molecular Formula
C3H6O6S
SMILES
C([C@@H](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)/t2-/m0/s1
InChIKey
CQQGIWJSICOUON-REOHCLBHSA-N
Compound name
(2R)-2-hydroxy-3-sulfopropanoic acid
Related CIDs

2D Structure

compound 2d structure
4
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 129.1
[M+Na]+ 192.97773 136.0
[M-H]- 168.98123 125.6
[M+NH4]+ 188.02233 147.2
[M+K]+ 208.95167 134.8
[M+H-H2O]+ 152.98577 125.1
[M+HCOO]- 214.98671 142.1
[M+CH3COO]- 229.00236 166.1
[M+Na-2H]- 190.96318 131.6
[M]+ 169.98796 130.3
[M]- 169.98906 130.3
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