PubChemLite - Galactopinitol a (C13H24O11)

Structural Information

Molecular Formula

SMILES

CO[C@@H]1[C@H]([C@H]([C@@H]([C@@H]([C@H]1O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O

InChI

InChI=1S/C13H24O11/c1-22-11-7(18)6(17)8(19)12(10(11)21)24-13-9(20)5(16)4(15)3(2-14)23-13/h3-21H,2H2,1H3/t3-,4+,5+,6-,7+,8+,9-,10+,11-,12+,13-/m1/s1

InChIKey

WFSVEMFCPALUBB-GDYURJOXSA-N

Compound name

(1S,2R,3S,4R,5S,6S)-4-methoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,5-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]+	357.13915	176.5
[M+Na]+	379.12109	180.7
[M+NH4]+	374.16569	177.3
[M+K]+	395.09503	183.2
[M-H]-	355.12459	173.4
[M+Na-2H]-	377.10654	171.0
[M]+	356.13132	175.2
[M]-	356.13242	175.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

357.13915

176.5

[M+Na]+

379.12109

180.7

[M+NH4]+

374.16569

177.3

[M+K]+

395.09503

183.2

[M-H]-

355.12459

173.4

[M+Na-2H]-

377.10654

171.0

[M]+

356.13132

175.2

[M]-

356.13242

175.2

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

Galactopinitol a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe