PubChemLite - Difructose anhydride i (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	165.3
[M+Na]+	347.09487	169.2
[M+NH4]+	342.13947	170.8
[M+K]+	363.06881	171.7
[M-H]-	323.09837	167.1
[M+Na-2H]-	345.08032	162.8
[M]+	324.10510	165.9
[M]-	324.10620	165.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

325.11293

165.3

[M+Na]+

347.09487

169.2

[M+NH4]+

342.13947

170.8

[M+K]+

363.06881

171.7

[M-H]-

323.09837

167.1

[M+Na-2H]-

345.08032

162.8

[M]+

324.10510

165.9

[M]-

324.10620

165.9

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

Difructose anhydride i

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe