CID 439559

Refchem:978783

Structural Information

Molecular Formula
C12H22O11
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H](C(O2)(CO)O)O)O)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12?/m1/s1
InChIKey
PVXPPJIGRGXGCY-TZLCEDOOSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

214
References

21368
Patents

342.1162 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.123476 170.9
[M+Na]+ 365.105418 174.9
[M-H]- 341.108924 168.4
[M+NH4]+ 360.150023 179.9
[M+K]+ 381.079358 175.3
[M+H-H2O]+ 325.113460 167.1
[M+HCOO]- 387.114401 176.9
[M+CH3COO]- 401.130051 195.7
[M+Na-2H]- 363.090866 170.0
[M]+ 342.11565142 169.4
[M]- 342.11674858 169.4
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.