CID 4362805

215305-98-9

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CC(C)(C)OC(=O)NCCC1CCCNC1

InChI

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

InChIKey

XQIKKZRRQGXGHF-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-piperidin-3-ylethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
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]+	229.19106	156.4
[M+Na]+	251.17300	163.3
[M+NH4]+	246.21760	162.4
[M+K]+	267.14694	159.1
[M-H]-	227.17650	155.8
[M+Na-2H]-	249.15845	158.7
[M]+	228.18323	156.7
[M]-	228.18433	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe