CID 138991024

1402666-94-7

Structural Information

Molecular Formula

C₁₇H₂₆N₂O₂

SMILES

CC(C)(C)OC(=O)NCC1=CC=CC=C1C2CCNCC2

InChI

InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-12-14-6-4-5-7-15(14)13-8-10-18-11-9-13/h4-7,13,18H,8-12H2,1-3H3,(H,19,20)

InChIKey

BFTIREQIQMGVCP-UHFFFAOYSA-N

Compound name

tert-butyl N-[(2-piperidin-4-ylphenyl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.19943 Da
Monoisotopic Mass: 2.5
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]+	291.206706	172.1
[M+Na]+	313.188648	174.4
[M-H]-	289.192154	174.6
[M+NH4]+	308.233253	184.9
[M+K]+	329.162588	170.9
[M+H-H2O]+	273.196690	163.9
[M+HCOO]-	335.197631	187.4
[M+CH3COO]-	349.213281	200.8
[M+Na-2H]-	311.174096	174.5
[M]+	290.19888142	167.1
[M]-	290.19997858	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.