CID 10176213

(2r,5r)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid

Structural Information

Molecular Formula
C4H6O4S
SMILES
C1[C@@H](O[C@H](S1)C(=O)O)O
InChI
InChI=1S/C4H6O4S/c5-2-1-9-4(8-2)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-,4-/m1/s1
InChIKey
LOWHAEXKCMFUMV-VVJJHMBFSA-N
Compound name
(2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

149.99867 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.00595 127.0
[M+Na]+ 172.98789 134.4
[M-H]- 148.99139 128.9
[M+NH4]+ 168.03249 147.7
[M+K]+ 188.96183 134.4
[M+H-H2O]+ 132.99593 123.1
[M+HCOO]- 194.99687 141.9
[M+CH3COO]- 209.01252 165.0
[M+Na-2H]- 170.97334 128.7
[M]+ 149.99812 126.9
[M]- 149.99922 126.9
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