CID 145864744

Chebi:145746

Structural Information

Molecular Formula
C15H28O11
SMILES
CO[C@H]1[C@@H]([C@H](O[C@H]([C@H]1O)O[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2OC)O)OC)CO)CO)O
InChI
InChI=1S/C15H28O11/c1-21-12-8(18)6(4-16)24-15(9(12)19)26-11-7(5-17)25-14(23-3)10(20)13(11)22-2/h6-20H,4-5H2,1-3H3/t6-,7-,8-,9+,10+,11-,12+,13-,14+,15+/m1/s1
InChIKey
GJVGVCRJQPOURF-AAYHEAFJSA-N
Compound name
(2S,3S,4S,5R,6R)-2-[(2R,3R,4R,5S,6S)-5-hydroxy-2-(hydroxymethyl)-4,6-dimethoxyoxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.16315 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.17043 185.3
[M+Na]+ 407.15237 190.7
[M+NH4]+ 402.19697 186.8
[M+K]+ 423.12631 191.9
[M-H]- 383.15587 185.0
[M+Na-2H]- 405.13782 180.8
[M]+ 384.16260 185.2
[M]- 384.16370 185.2
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.