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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.