CID 5152304

71985-82-5

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

C1CC(CNC1)CCC(=O)O

InChI

InChI=1S/C8H15NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h7,9H,1-6H2,(H,10,11)

InChIKey

FCDZOPQSMGHRMK-UHFFFAOYSA-N

Compound name

3-piperidin-3-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 157.11028 Da
Monoisotopic Mass: -1.9
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	136.3
[M+Na]+	180.09950	140.1
[M-H]-	156.10300	134.6
[M+NH4]+	175.14410	154.0
[M+K]+	196.07344	138.1
[M+H-H2O]+	140.10754	130.2
[M+HCOO]-	202.10848	152.1
[M+CH3COO]-	216.12413	170.8
[M+Na-2H]-	178.08495	139.8
[M]+	157.10973	129.8
[M]-	157.11083	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe