CID 3152951

2-(piperidin-1-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC(C(=O)O)N1CCCCC1

InChI

InChI=1S/C8H15NO2/c1-7(8(10)11)9-5-3-2-4-6-9/h7H,2-6H2,1H3,(H,10,11)

InChIKey

YTWYJCFQNOZVEC-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 725
Patents: 157.11028 Da
Monoisotopic Mass: -1.2
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]+	158.11756	135.6
[M+Na]+	180.09950	144.6
[M+NH4]+	175.14410	142.9
[M+K]+	196.07344	140.4
[M-H]-	156.10300	135.4
[M+Na-2H]-	178.08495	139.0
[M]+	157.10973	136.4
[M]-	157.11083	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe