CID 148384960

Ec 411-660-8

Structural Information

Molecular Formula
C4H6O4S
SMILES
C1C(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-URVZRBSTSA-N
Compound name
(2R)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

149.99867 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.005946 127.0
[M+Na]+ 172.987888 134.4
[M-H]- 148.991394 128.9
[M+NH4]+ 168.032493 147.7
[M+K]+ 188.961828 134.4
[M+H-H2O]+ 132.995930 123.1
[M+HCOO]- 194.996871 141.9
[M+CH3COO]- 209.012521 165.0
[M+Na-2H]- 170.973336 128.7
[M]+ 149.99812142 126.9
[M]- 149.99921858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.