CID 3080955

4-o-glucopyranosylmoranoline

Structural Information

Molecular Formula
C12H23NO9
SMILES
C1CC(CNC1)O[C@@H]2[C@]([C@H](C([C@](O2)(CO)O)(O)O)O)(CO)O
InChI
InChI=1S/C12H23NO9/c14-5-10(17)8(16)12(19,20)11(18,6-15)22-9(10)21-7-2-1-3-13-4-7/h7-9,13-20H,1-6H2/t7?,8-,9+,10-,11-/m1/s1
InChIKey
KENGVHGYBQTSDK-OXKBGPBOSA-N
Compound name
(2R,4R,5R,6S)-2,5-bis(hydroxymethyl)-6-piperidin-3-yloxyoxane-2,3,3,4,5-pentol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

325.13727 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.144546 172.5
[M+Na]+ 348.126488 176.2
[M-H]- 324.129994 167.4
[M+NH4]+ 343.171093 184.0
[M+K]+ 364.100428 175.2
[M+H-H2O]+ 308.134530 168.8
[M+HCOO]- 370.135471 175.9
[M+CH3COO]- 384.151121 188.7
[M+Na-2H]- 346.111936 175.8
[M]+ 325.13672142 166.2
[M]- 325.13781858 166.2
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.