CID 21266355

856213-49-5

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

C1CC(CN(C1)CCO)C(=O)O

InChI

InChI=1S/C8H15NO3/c10-5-4-9-3-1-2-7(6-9)8(11)12/h7,10H,1-6H2,(H,11,12)

InChIKey

JJKYOTBAUFASAX-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethyl)piperidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 173.1052 Da
Monoisotopic Mass: -2.7
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]+	174.11248	138.5
[M+Na]+	196.09442	147.2
[M+NH4]+	191.13902	145.0
[M+K]+	212.06836	143.3
[M-H]-	172.09792	137.5
[M+Na-2H]-	194.07987	141.0
[M]+	173.10465	139.0
[M]-	173.10575	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe