CID 3616844

4-piperidinecarboxylic acid, 1-methyl-, methyl ester

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CN1CCC(CC1)C(=O)OC

InChI

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

InChIKey

KYAOKPRJTMFBTQ-UHFFFAOYSA-N

Compound name

methyl 1-methylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 387
Patents: 157.11028 Da
Monoisotopic Mass: 0.6
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]+	158.117556	134.3
[M+Na]+	180.099498	140.1
[M-H]-	156.103004	136.0
[M+NH4]+	175.144103	153.9
[M+K]+	196.073438	140.0
[M+H-H2O]+	140.107540	128.1
[M+HCOO]-	202.108481	153.2
[M+CH3COO]-	216.124131	176.5
[M+Na-2H]-	178.084946	138.2
[M]+	157.10973142	132.0
[M]-	157.11082858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe