CID 7048614

L-xylo-hex-3-ulono-1,4-lactone

Structural Information

Molecular Formula
C6H8O6
SMILES
C([C@@H]([C@@H]1C(=O)C(C(=O)O1)O)O)O
InChI
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,4-5,7-8,10H,1H2/t2-,4?,5+/m0/s1
InChIKey
PJBQWWHYTVYMLO-LZUUPNLKSA-N
Compound name
(5R)-5-[(1S)-1,2-dihydroxyethyl]-3-hydroxyoxolane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

176.03209 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.03937 131.2
[M+Na]+ 199.02131 139.0
[M-H]- 175.02481 131.8
[M+NH4]+ 194.06591 149.8
[M+K]+ 214.99525 138.9
[M+H-H2O]+ 159.02935 127.2
[M+HCOO]- 221.03029 149.6
[M+CH3COO]- 235.04594 171.0
[M+Na-2H]- 197.00676 133.5
[M]+ 176.03154 130.6
[M]- 176.03264 130.6
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