CID 57307861

2378502-82-8

Structural Information

Molecular Formula

C₇H₁₂ClNO₂

SMILES

CN1CCC(CC1)(C(=O)O)Cl

InChI

InChI=1S/C7H12ClNO2/c1-9-4-2-7(8,3-5-9)6(10)11/h2-5H2,1H3,(H,10,11)

InChIKey

GKCWRGQRMSVAFU-UHFFFAOYSA-N

Compound name

4-chloro-1-methylpiperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 177.05565 Da
Monoisotopic Mass: -1.5
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]+	178.06293	135.0
[M+Na]+	200.04487	145.9
[M+NH4]+	195.08947	144.3
[M+K]+	216.01881	138.9
[M-H]-	176.04837	135.1
[M+Na-2H]-	198.03032	140.6
[M]+	177.05510	136.7
[M]-	177.05620	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe