CID 636936

Rac-(3r,6r)-6-(hydroxymethyl)piperidin-3-ol hydrochloride

Structural Information

Molecular Formula
C6H13NO2
SMILES
C1C[C@H](NC[C@H]1O)CO
InChI
InChI=1S/C6H13NO2/c8-4-5-1-2-6(9)3-7-5/h5-9H,1-4H2/t5-,6-/m0/s1
InChIKey
VLMAABJNFNPYCK-WDSKDSINSA-N
Compound name
(3S,6S)-6-(hydroxymethyl)piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

131.09464 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 128.9
[M+Na]+ 154.083858 134.1
[M-H]- 130.087364 126.4
[M+NH4]+ 149.128463 147.3
[M+K]+ 170.057798 131.7
[M+H-H2O]+ 114.091900 123.5
[M+HCOO]- 176.092841 144.6
[M+CH3COO]- 190.108491 163.4
[M+Na-2H]- 152.069306 133.4
[M]+ 131.09409142 121.5
[M]- 131.09518858 121.5
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

patents stripe