CID 10241657

Trans-5-acetoxy-1,3-oxathiolane-2-carboxylic acid

Structural Information

Molecular Formula
C6H8O5S
SMILES
CC(=O)O[C@H]1CS[C@@H](O1)C(=O)O
InChI
InChI=1S/C6H8O5S/c1-3(7)10-4-2-12-6(11-4)5(8)9/h4,6H,2H2,1H3,(H,8,9)/t4-,6-/m1/s1
InChIKey
WRUGSNIJLUOGQF-INEUFUBQSA-N
Compound name
(2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

192.00925 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.01653 138.0
[M+Na]+ 214.99847 144.8
[M-H]- 191.00197 141.0
[M+NH4]+ 210.04307 157.5
[M+K]+ 230.97241 145.6
[M+H-H2O]+ 175.00651 133.5
[M+HCOO]- 237.00745 153.1
[M+CH3COO]- 251.02310 175.1
[M+Na-2H]- 212.98392 138.2
[M]+ 192.00870 140.5
[M]- 192.00980 140.5
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