CID 54373786

4-amino-3-hydroxypiperidine

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

C1CNCC(C1N)O

InChI

InChI=1S/C5H12N2O/c6-4-1-2-7-3-5(4)8/h4-5,7-8H,1-3,6H2

InChIKey

UVBKPWNFXFUDOU-UHFFFAOYSA-N

Compound name

4-aminopiperidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 46
Patents: 116.09496 Da
Monoisotopic Mass: -1.6
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]+	117.10224	124.7
[M+Na]+	139.08418	130.0
[M-H]-	115.08768	123.3
[M+NH4]+	134.12878	144.0
[M+K]+	155.05812	127.9
[M+H-H2O]+	99.092220	119.1
[M+HCOO]-	161.09316	142.5
[M+CH3COO]-	175.10881	165.1
[M+Na-2H]-	137.06963	129.5
[M]+	116.09441	115.7
[M]-	116.09551	115.7

Literature stripe

literature stripe

Patent stripe

patents stripe