CID 3044671

4-piperidinecarboxylic acid, 4-amino-, pentyl ester, ethanedioate (1:2)

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CCCCCOC(=O)C1(CCNCC1)N

InChI

InChI=1S/C11H22N2O2/c1-2-3-4-9-15-10(14)11(12)5-7-13-8-6-11/h13H,2-9,12H2,1H3

InChIKey

TYXBSZYVESTCNX-UHFFFAOYSA-N

Compound name

pentyl 4-aminopiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 214.16812 Da
Monoisotopic Mass: 0.9
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]+	215.175396	152.7
[M+Na]+	237.157338	155.8
[M-H]-	213.160844	151.6
[M+NH4]+	232.201943	170.3
[M+K]+	253.131278	153.9
[M+H-H2O]+	197.165380	146.4
[M+HCOO]-	259.166321	169.4
[M+CH3COO]-	273.181971	185.7
[M+Na-2H]-	235.142786	155.6
[M]+	214.16757142	147.7
[M]-	214.16866858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe