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]+ 326.14455 172.5
[M+Na]+ 348.12649 176.2
[M-H]- 324.12999 167.4
[M+NH4]+ 343.17109 184.0
[M+K]+ 364.10043 175.2
[M+H-H2O]+ 308.13453 168.8
[M+HCOO]- 370.13547 175.9
[M+CH3COO]- 384.15112 188.7
[M+Na-2H]- 346.11194 175.8
[M]+ 325.13672 166.2
[M]- 325.13782 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.