CID 25200426

4-o-methylgalactinol

Structural Information

Molecular Formula
C13H24O11
SMILES
CO[C@H]1[C@@H]([C@H]([C@H]([C@@H]([C@@H]1O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C13H24O11/c1-22-11-8(19)6(17)7(18)9(20)12(11)24-13-10(21)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
RSYNCMYDVZFZBP-KERYTHSYSA-N
Compound name
(1S,2R,3S,4R,5S,6S)-5-methoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

356.13187 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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 (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.