CID 21980384

2-(piperidin-3-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC(C1CCCNC1)C(=O)O

InChI

InChI=1S/C8H15NO2/c1-6(8(10)11)7-3-2-4-9-5-7/h6-7,9H,2-5H2,1H3,(H,10,11)

InChIKey

SYAXBEMNIXCDBQ-UHFFFAOYSA-N

Compound name

2-piperidin-3-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 157.11028 Da
Monoisotopic Mass: -1.7
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]+	158.11756	136.5
[M+Na]+	180.09950	140.1
[M-H]-	156.10300	134.9
[M+NH4]+	175.14410	154.1
[M+K]+	196.07344	138.6
[M+H-H2O]+	140.10754	130.5
[M+HCOO]-	202.10848	151.3
[M+CH3COO]-	216.12413	171.7
[M+Na-2H]-	178.08495	138.7
[M]+	157.10973	129.3
[M]-	157.11083	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe