CID 59778290

2913278-25-6

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CCC1CC(CNC1)C(=O)O

InChI

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

InChIKey

SEQUQHCLXNUYHP-UHFFFAOYSA-N

Compound name

5-ethylpiperidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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]+	158.117556	136.0
[M+Na]+	180.099498	140.8
[M-H]-	156.103004	134.7
[M+NH4]+	175.144103	154.0
[M+K]+	196.073438	138.8
[M+H-H2O]+	140.107540	130.2
[M+HCOO]-	202.108481	151.8
[M+CH3COO]-	216.124131	172.0
[M+Na-2H]-	178.084946	138.7
[M]+	157.10973142	129.8
[M]-	157.11082858	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe