CID 11694980

Tert-butyl 4-(benzyloxy)piperidine-1-carboxylate

Structural Information

Molecular Formula

C₁₇H₂₅NO₃

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OCC2=CC=CC=C2

InChI

InChI=1S/C17H25NO3/c1-17(2,3)21-16(19)18-11-9-15(10-12-18)20-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3

InChIKey

MWDHRTQFUAQSMK-UHFFFAOYSA-N

Compound name

tert-butyl 4-phenylmethoxypiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 291.18344 Da
Monoisotopic Mass: 3.0
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]+	292.190716	171.2
[M+Na]+	314.172658	174.8
[M-H]-	290.176164	175.3
[M+NH4]+	309.217263	185.0
[M+K]+	330.146598	172.8
[M+H-H2O]+	274.180700	162.9
[M+HCOO]-	336.181641	187.2
[M+CH3COO]-	350.197291	200.3
[M+Na-2H]-	312.158106	173.7
[M]+	291.18289142	170.2
[M]-	291.18398858	170.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe