CID 6477160

Chembl2442258

Structural Information

Molecular Formula
C8H17NO5
SMILES
CN1[C@@H]([C@H](C([C@H]([C@H]1CO)O)O)O)CO
InChI
InChI=1S/C8H17NO5/c1-9-4(2-10)6(12)8(14)7(13)5(9)3-11/h4-8,10-14H,2-3H2,1H3/t4-,5-,6-,7+,8?/m1/s1
InChIKey
CVSZHOAOIZMVHV-IYWGXSQHSA-N
Compound name
(2R,3S,5R,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

207.11067 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11795 146.4
[M+Na]+ 230.09989 153.2
[M-H]- 206.10339 142.2
[M+NH4]+ 225.14449 161.3
[M+K]+ 246.07383 150.5
[M+H-H2O]+ 190.10793 141.5
[M+HCOO]- 252.10887 158.9
[M+CH3COO]- 266.12452 176.8
[M+Na-2H]- 228.08534 146.1
[M]+ 207.11012 142.1
[M]- 207.11122 142.1
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

patents stripe