CID 22056640

1-ethylpiperidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CCN1CCCC(C1)C(=O)O

InChI

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

InChIKey

AUAARCSKNLPQTM-UHFFFAOYSA-N

Compound name

1-ethylpiperidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 168
Patents: 157.11028 Da
Monoisotopic Mass: -1.6
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	135.2
[M+Na]+	180.09950	144.9
[M+NH4]+	175.14410	142.7
[M+K]+	196.07344	140.1
[M-H]-	156.10300	135.3
[M+Na-2H]-	178.08495	138.7
[M]+	157.10973	136.2
[M]-	157.11083	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe