CID 90658446

2-carboxy-l-xylonolactone

Structural Information

Molecular Formula
C6H8O7
SMILES
C(C1C(C(C(=O)O1)(C(=O)O)O)O)O
InChI
InChI=1S/C6H8O7/c7-1-2-3(8)6(12,4(9)10)5(11)13-2/h2-3,7-8,12H,1H2,(H,9,10)
InChIKey
ZNJUNWARRIXWAA-UHFFFAOYSA-N
Compound name
3,4-dihydroxy-5-(hydroxymethyl)-2-oxooxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

192.02701 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.03429 135.9
[M+Na]+ 215.01623 142.3
[M+NH4]+ 210.06083 141.2
[M+K]+ 230.99017 142.5
[M-H]- 191.01973 132.9
[M+Na-2H]- 213.00168 136.0
[M]+ 192.02646 135.4
[M]- 192.02756 135.4
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.