CID 131751465

D-erythroascorbic acid 1'-a-d-xylopyranoside

Structural Information

Molecular Formula
C10H14O9
SMILES
C1C(C(C(C(O1)OCC2C(=C(C(=O)O2)O)O)O)O)O
InChI
InChI=1S/C10H14O9/c11-3-1-17-10(8(15)5(3)12)18-2-4-6(13)7(14)9(16)19-4/h3-5,8,10-15H,1-2H2
InChIKey
CMPVKMSVRPPYHP-UHFFFAOYSA-N
Compound name
3,4-dihydroxy-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

278.06378 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07106 154.8
[M+Na]+ 301.05300 161.2
[M-H]- 277.05650 156.8
[M+NH4]+ 296.09760 166.6
[M+K]+ 317.02694 161.6
[M+H-H2O]+ 261.06104 150.0
[M+HCOO]- 323.06198 167.7
[M+CH3COO]- 337.07763 187.5
[M+Na-2H]- 299.03845 155.3
[M]+ 278.06323 154.6
[M]- 278.06433 154.6
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

No patent data available for this compound.