CID 92024379

Beta glucan

Structural Information

Molecular Formula
C18H32O14
SMILES
C1C(C(OC(C1O)OC2C(C(OC(C2O)OC3C(COC(C3O)CO)O)CO)O)CO)O
InChI
InChI=1S/C18H32O14/c19-2-9-6(22)1-7(23)17(29-9)32-16-13(26)11(4-21)30-18(14(16)27)31-15-8(24)5-28-10(3-20)12(15)25/h6-27H,1-5H2
InChIKey
SPMCUTIDVYCGCK-UHFFFAOYSA-N
Compound name
2-[3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-4-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

121
References

224
Patents

472.1792 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.18648 204.7
[M+Na]+ 495.16842 206.9
[M+NH4]+ 490.21302 203.4
[M+K]+ 511.14236 215.1
[M-H]- 471.17192 204.6
[M+Na-2H]- 493.15387 227.1
[M]+ 472.17865 203.8
[M]- 472.17975 203.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.