CID 145864714

3,3'-di-o-methyl-4alpha-mannobiose

Structural Information

Molecular Formula
C14H26O11
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)O)CO)CO)O
InChI
InChI=1S/C14H26O11/c1-21-11-7(17)5(3-15)24-14(9(11)19)25-10-6(4-16)23-13(20)8(18)12(10)22-2/h5-20H,3-4H2,1-2H3/t5-,6-,7-,8+,9+,10-,11+,12-,13+,14-/m1/s1
InChIKey
VHPIGROAJWTJIW-NKTQMSGFSA-N
Compound name
(2R,3S,4S,5R,6R)-2-[(2R,3R,4R,5S,6S)-5,6-dihydroxy-2-(hydroxymethyl)-4-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.14752 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15480 181.4
[M+Na]+ 393.13674 186.5
[M+NH4]+ 388.18134 182.7
[M+K]+ 409.11068 188.3
[M-H]- 369.14024 180.6
[M+Na-2H]- 391.12219 176.5
[M]+ 370.14697 181.1
[M]- 370.14807 181.1
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.