CID 53842311

1224449-39-1

Structural Information

Molecular Formula

C₁₇H₂₆N₂O₃

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)CN

InChI

InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-8-15(9-11-19)21-14-6-4-13(12-18)5-7-14/h4-7,15H,8-12,18H2,1-3H3

InChIKey

GJYUZHNHCBMALI-UHFFFAOYSA-N

Compound name

tert-butyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 306.19434 Da
Monoisotopic Mass: 2.2
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]+	307.201616	175.3
[M+Na]+	329.183558	178.9
[M-H]-	305.187064	179.1
[M+NH4]+	324.228163	188.2
[M+K]+	345.157498	176.6
[M+H-H2O]+	289.191600	166.9
[M+HCOO]-	351.192541	191.7
[M+CH3COO]-	365.208191	206.0
[M+Na-2H]-	327.169006	176.6
[M]+	306.19379142	173.0
[M]-	306.19488858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe