CID 11007937

4-(hydroxymethyl)piperidin-3-ol

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

C1CNC[C@H]([C@H]1CO)O

InChI

InChI=1S/C6H13NO2/c8-4-5-1-2-7-3-6(5)9/h5-9H,1-4H2/t5-,6-/m1/s1

InChIKey

COQKGJIYPZVMSJ-PHDIDXHHSA-N

Compound name

(3S,4R)-4-(hydroxymethyl)piperidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 232
Patents: 131.09464 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe