CID 50986420

1303890-65-4

Structural Information

Molecular Formula

C₁₆H₂₉N₃O₃

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCC(CC2)N

InChI

InChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-8-4-12(5-9-19)14(20)18-10-6-13(17)7-11-18/h12-13H,4-11,17H2,1-3H3

InChIKey

UHCAKLUONMKHOM-UHFFFAOYSA-N

Compound name

tert-butyl 4-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 311.2209 Da
Monoisotopic Mass: 0.7
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]+	312.228176	178.1
[M+Na]+	334.210118	179.2
[M-H]-	310.213624	179.6
[M+NH4]+	329.254723	189.0
[M+K]+	350.184058	177.6
[M+H-H2O]+	294.218160	169.5
[M+HCOO]-	356.219101	188.3
[M+CH3COO]-	370.234751	206.5
[M+Na-2H]-	332.195566	176.0
[M]+	311.22035142	170.3
[M]-	311.22144858	170.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.