CID 1501849

4-(2-aminoethyl)piperidine, 4-boc protected

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CC(C)(C)OC(=O)NCCC1CCNCC1

InChI

InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-9-6-10-4-7-13-8-5-10/h10,13H,4-9H2,1-3H3,(H,14,15)

InChIKey

RQRMFFGCUUGYPC-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-piperidin-4-ylethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 502
Patents: 228.18378 Da
Monoisotopic Mass: 1.6
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]+	229.191056	157.6
[M+Na]+	251.172998	159.9
[M-H]-	227.176504	156.9
[M+NH4]+	246.217603	173.2
[M+K]+	267.146938	158.3
[M+H-H2O]+	211.181040	150.9
[M+HCOO]-	273.181981	173.1
[M+CH3COO]-	287.197631	188.8
[M+Na-2H]-	249.158446	160.6
[M]+	228.18323142	153.0
[M]-	228.18432858	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe