CID 10565452

158144-82-2

Structural Information

Molecular Formula

C₁₇H₂₆N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CN)C2=CC=CC=C2

InChI

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

InChIKey

BHMYNEIUXQIVTL-UHFFFAOYSA-N

Compound name

tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 290.19943 Da
Monoisotopic Mass: 2.4
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]+	291.20671	171.3
[M+Na]+	313.18865	181.0
[M+NH4]+	308.23325	179.5
[M+K]+	329.16259	173.6
[M-H]-	289.19215	173.8
[M+Na-2H]-	311.17410	178.3
[M]+	290.19888	173.4
[M]-	290.19998	173.4

Literature stripe

literature stripe

Patent stripe

patents stripe