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: 250
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]+	132.10192	128.9
[M+Na]+	154.08386	134.1
[M-H]-	130.08736	126.4
[M+NH4]+	149.12846	147.3
[M+K]+	170.05780	131.7
[M+H-H2O]+	114.09190	123.5
[M+HCOO]-	176.09284	144.6
[M+CH3COO]-	190.10849	163.4
[M+Na-2H]-	152.06931	133.4
[M]+	131.09409	121.5
[M]-	131.09519	121.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe