CID 18783773

193537-75-6

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CCN1CCC(CC1)C(=O)O

InChI

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

InChIKey

IDHMTYNXPJWISA-UHFFFAOYSA-N

Compound name

1-ethylpiperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 534
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	135.0
[M+Na]+	180.09950	140.3
[M-H]-	156.10300	135.2
[M+NH4]+	175.14410	153.8
[M+K]+	196.07344	139.2
[M+H-H2O]+	140.10754	129.1
[M+HCOO]-	202.10848	152.4
[M+CH3COO]-	216.12413	174.5
[M+Na-2H]-	178.08495	138.4
[M]+	157.10973	130.8
[M]-	157.11083	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe