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 132.8
[M+Na]+ 215.01623 140.9
[M-H]- 191.01973 132.3
[M+NH4]+ 210.06083 152.0
[M+K]+ 230.99017 140.7
[M+H-H2O]+ 175.02427 130.1
[M+HCOO]- 237.02521 149.8
[M+CH3COO]- 251.04086 170.8
[M+Na-2H]- 213.00168 136.4
[M]+ 192.02646 132.3
[M]- 192.02756 132.3
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.