CID 17846640

4-amino-1-n-cbz-piperidine

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂

SMILES

C1CN(CCC1N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H18N2O2/c14-12-6-8-15(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2

InChIKey

YYIQGSYCCNQAGV-UHFFFAOYSA-N

Compound name

benzyl 4-aminopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 564
Patents: 234.13683 Da
Monoisotopic Mass: 1.2
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]+	235.144106	154.3
[M+Na]+	257.126048	158.4
[M-H]-	233.129554	158.2
[M+NH4]+	252.170653	169.7
[M+K]+	273.099988	155.8
[M+H-H2O]+	217.134090	145.9
[M+HCOO]-	279.135031	173.5
[M+CH3COO]-	293.150681	190.8
[M+Na-2H]-	255.111496	157.4
[M]+	234.13628142	149.3
[M]-	234.13737858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe