CID 171040042

Dtxsid901021480

Structural Information

Molecular Formula
C13H26O13Si
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[SiH2]C(O)O)O)O)O)O
InChI
InChI=1S/C13H26O13Si/c14-1-3-5(16)7(18)9(20)11(23-3)25-12-10(26-27-13(21)22)8(19)6(17)4(2-15)24-12/h3-22H,1-2,27H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
InChIKey
XDMSJMIMFMBJBZ-LIZSDCNHSA-N
Compound name
(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3-(dihydroxymethylsilyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

418.11426 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.12154 187.6
[M+Na]+ 441.10348 188.4
[M-H]- 417.10698 183.0
[M+NH4]+ 436.14808 189.3
[M+K]+ 457.07742 190.6
[M+H-H2O]+ 401.11152 180.3
[M+HCOO]- 463.11246 188.6
[M+CH3COO]- 477.12811 210.1
[M+Na-2H]- 439.08893 183.0
[M]+ 418.11371 185.4
[M]- 418.11481 185.4
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.