CID 102319081

(2r,3s,5r,6r)-2-(hydroxymethyl)-6-methylpiperidine-3,5-diol

Structural Information

Molecular Formula
C7H15NO3
SMILES
C[C@@H]1[C@@H](C[C@@H]([C@H](N1)CO)O)O
InChI
InChI=1S/C7H15NO3/c1-4-6(10)2-7(11)5(3-9)8-4/h4-11H,2-3H2,1H3/t4-,5-,6-,7+/m1/s1
InChIKey
DCVWZPYTNWZZIM-GBNDHIKLSA-N
Compound name
(2R,3S,5R,6R)-2-(hydroxymethyl)-6-methylpiperidine-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.1052 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.112476 136.6
[M+Na]+ 184.094418 142.7
[M-H]- 160.097924 133.3
[M+NH4]+ 179.139023 153.7
[M+K]+ 200.068358 139.9
[M+H-H2O]+ 144.102460 131.6
[M+HCOO]- 206.103401 150.6
[M+CH3COO]- 220.119051 168.7
[M+Na-2H]- 182.079866 138.6
[M]+ 161.10465142 130.0
[M]- 161.10574858 130.0
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.