CID 11782294

Bis-d-fructose 2',1:2,1'-dianhydride

Structural Information

Molecular Formula
C12H20O10
SMILES
C1[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)OC[C@@]3(O1)[C@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C12H20O10/c13-1-5-7(15)9(17)11(21-5)3-20-12(4-19-11)10(18)8(16)6(2-14)22-12/h5-10,13-18H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12+/m1/s1
InChIKey
DKOQIDXJOZQKIG-IYDDCBTQSA-N
Compound name
(1S,2S,3R,5S,8R,9S,10S,11R)-3,11-bis(hydroxymethyl)-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane-1,2,9,10-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

32
Patents

324.10565 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11293 166.0
[M+Na]+ 347.09487 171.4
[M-H]- 323.09837 168.6
[M+NH4]+ 342.13947 178.8
[M+K]+ 363.06881 173.2
[M+H-H2O]+ 307.10291 165.1
[M+HCOO]- 369.10385 172.2
[M+CH3COO]- 383.11950 192.6
[M+Na-2H]- 345.08032 169.3
[M]+ 324.10510 165.0
[M]- 324.10620 165.0
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.