CID 13172082

5-(piperidin-1-yl)pentanoic acid hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

C1CCN(CC1)CCCCC(=O)O

InChI

InChI=1S/C10H19NO2/c12-10(13)6-2-5-9-11-7-3-1-4-8-11/h1-9H2,(H,12,13)

InChIKey

XSDBBZZUMULACW-UHFFFAOYSA-N

Compound name

5-piperidin-1-ylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 166
Patents: 185.14159 Da
Monoisotopic Mass: -1.0
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]+	186.14887	144.6
[M+Na]+	208.13081	148.0
[M-H]-	184.13431	144.0
[M+NH4]+	203.17541	161.9
[M+K]+	224.10475	146.4
[M+H-H2O]+	168.13885	137.9
[M+HCOO]-	230.13979	161.3
[M+CH3COO]-	244.15544	179.4
[M+Na-2H]-	206.11626	147.5
[M]+	185.14104	140.7
[M]-	185.14214	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe