CID 21924842

6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2,4,5-triol

Structural Information

Molecular Formula
C11H20O10
SMILES
C1C(C(C(C(O1)OC2C(C(C(OC2O)CO)O)O)O)O)O
InChI
InChI=1S/C11H20O10/c12-1-4-6(15)7(16)9(10(18)20-4)21-11-8(17)5(14)3(13)2-19-11/h3-18H,1-2H2
InChIKey
BUEBVQCTEJTADB-UHFFFAOYSA-N
Compound name
6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

492
Patents

312.10565 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11293 166.5
[M+Na]+ 335.09487 171.8
[M+NH4]+ 330.13947 168.5
[M+K]+ 351.06881 173.8
[M-H]- 311.09837 165.7
[M+Na-2H]- 333.08032 162.3
[M]+ 312.10510 166.2
[M]- 312.10620 166.2
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

patents stripe