CID 3037163

Ns00120964

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1162 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.123476 170.9
[M+Na]+ 365.105418 175.6
[M-H]- 341.108924 167.4
[M+NH4]+ 360.150023 181.4
[M+K]+ 381.079358 175.6
[M+H-H2O]+ 325.113460 168.8
[M+HCOO]- 387.114401 175.4
[M+CH3COO]- 401.130051 194.0
[M+Na-2H]- 363.090866 171.4
[M]+ 342.11565142 168.6
[M]- 342.11674858 168.6
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.