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]+ 371.154796 181.2
[M+Na]+ 393.136738 184.6
[M-H]- 369.140244 181.0
[M+NH4]+ 388.181343 187.0
[M+K]+ 409.110678 186.4
[M+H-H2O]+ 353.144780 174.4
[M+HCOO]- 415.145721 187.6
[M+CH3COO]- 429.161371 207.9
[M+Na-2H]- 391.122186 178.7
[M]+ 370.14697142 181.9
[M]- 370.14806858 181.9
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.