CID 1514443

1-boc-4-cyanopiperidine

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C#N

InChI

InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-7H2,1-3H3

InChIKey

UQADQTBQNVARAP-UHFFFAOYSA-N

Compound name

tert-butyl 4-cyanopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1383
Patents: 210.13683 Da
Monoisotopic Mass: 1.3
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]+	211.14411	149.7
[M+Na]+	233.12605	158.6
[M+NH4]+	228.17065	153.1
[M+K]+	249.09999	151.2
[M-H]-	209.12955	142.3
[M+Na-2H]-	231.11150	150.6
[M]+	210.13628	147.8
[M]-	210.13738	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe