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]+ 193.034286 132.8
[M+Na]+ 215.016228 140.9
[M-H]- 191.019734 132.3
[M+NH4]+ 210.060833 152.0
[M+K]+ 230.990168 140.7
[M+H-H2O]+ 175.024270 130.1
[M+HCOO]- 237.025211 149.8
[M+CH3COO]- 251.040861 170.8
[M+Na-2H]- 213.001676 136.4
[M]+ 192.02646142 132.3
[M]- 192.02755858 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.