CID 439843

(r)-2-o-sulfonatolactate(2-)

Structural Information

Molecular Formula
C3H6O6S
SMILES
C[C@H](C(=O)O)OS(=O)(=O)O
InChI
InChI=1S/C3H6O6S/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H,6,7,8)/t2-/m1/s1
InChIKey
CSRZVBCXQYEYKY-UWTATZPHSA-N
Compound name
(2R)-2-sulfooxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

169.98851 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.99579 132.0
[M+Na]+ 192.97773 138.4
[M+NH4]+ 188.02233 136.5
[M+K]+ 208.95167 136.6
[M-H]- 168.98123 126.7
[M+Na-2H]- 190.96318 131.6
[M]+ 169.98796 131.3
[M]- 169.98906 131.3
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