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 128.3
[M+Na]+ 192.97773 135.7
[M-H]- 168.98123 126.4
[M+NH4]+ 188.02233 147.3
[M+K]+ 208.95167 135.5
[M+H-H2O]+ 152.98577 124.2
[M+HCOO]- 214.98671 142.9
[M+CH3COO]- 229.00236 168.5
[M+Na-2H]- 190.96318 131.4
[M]+ 169.98796 131.5
[M]- 169.98906 131.5
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