CID 131751466

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

Structural Information

Molecular Formula
C11H16O10
SMILES
C(C1C(C(C(C(O1)OCC2C(=C(C(=O)O2)O)O)O)O)O)O
InChI
InChI=1S/C11H16O10/c12-1-3-5(13)7(15)9(17)11(21-3)19-2-4-6(14)8(16)10(18)20-4/h3-5,7,9,11-17H,1-2H2
InChIKey
VMBZDIQDNQIPAL-UHFFFAOYSA-N
Compound name
3,4-dihydroxy-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

308.07434 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.08162 162.0
[M+Na]+ 331.06356 168.0
[M-H]- 307.06706 162.7
[M+NH4]+ 326.10816 172.0
[M+K]+ 347.03750 168.2
[M+H-H2O]+ 291.07160 157.0
[M+HCOO]- 353.07254 173.0
[M+CH3COO]- 367.08819 192.8
[M+Na-2H]- 329.04901 161.1
[M]+ 308.07379 162.3
[M]- 308.07489 162.3
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.