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

11
Patents

176.03209 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.039366 131.2
[M+Na]+ 199.021308 139.0
[M-H]- 175.024814 131.8
[M+NH4]+ 194.065913 149.8
[M+K]+ 214.995248 138.9
[M+H-H2O]+ 159.029350 127.2
[M+HCOO]- 221.030291 149.6
[M+CH3COO]- 235.045941 171.0
[M+Na-2H]- 197.006756 133.5
[M]+ 176.03154142 130.6
[M]- 176.03263858 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