CID 2761156

1185304-52-2

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CN1CCC(CC1)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C12H22N2O2/c1-13-6-4-11(5-7-13)14-8-2-10(3-9-14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)

InChIKey

MVVCBMNRXWHOBD-UHFFFAOYSA-N

Compound name

1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 226.16812 Da
Monoisotopic Mass: -1.4
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]+	227.175396	155.8
[M+Na]+	249.157338	158.4
[M-H]-	225.160844	156.7
[M+NH4]+	244.201943	169.9
[M+K]+	265.131278	156.1
[M+H-H2O]+	209.165380	147.4
[M+HCOO]-	271.166321	167.5
[M+CH3COO]-	285.181971	187.5
[M+Na-2H]-	247.142786	155.7
[M]+	226.16757142	147.1
[M]-	226.16866858	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe