CID 75092867

4-o-alpha-d-galactopyranosylcalystegine b2

Structural Information

Molecular Formula
C13H23NO9
SMILES
C1CC2(C(C(C(C1N2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O
InChI
InChI=1S/C13H23NO9/c15-3-5-6(16)7(17)8(18)12(22-5)23-10-4-1-2-13(21,14-4)11(20)9(10)19/h4-12,14-21H,1-3H2
InChIKey
IWKGAFMTKIYREN-UHFFFAOYSA-N
Compound name
4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-azabicyclo[3.2.1]octane-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.13727 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14455 172.3
[M+Na]+ 360.12649 175.6
[M+NH4]+ 355.17109 176.0
[M+K]+ 376.10043 177.0
[M-H]- 336.12999 168.5
[M+Na-2H]- 358.11194 167.0
[M]+ 337.13672 170.8
[M]- 337.13782 170.8
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.