PubChemLite - Bis-d-fructose 2',1:2,1'-dianhydride (C12H20O10)

Structural Information

Molecular Formula

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,5R,8S,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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Adduct

m/z

Predicted CCS (Å²)

[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 (Å²) per adduct calculated using CCSbase.

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe