CID 45358645

Tert-butyl n-[3-(piperidin-3-yl)phenyl]carbamate

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₂

SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C2CCCNC2

InChI

InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-14-8-4-6-12(10-14)13-7-5-9-17-11-13/h4,6,8,10,13,17H,5,7,9,11H2,1-3H3,(H,18,19)

InChIKey

MRRCMEJMLODJCD-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-piperidin-3-ylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 276.18378 Da
Monoisotopic Mass: 2.6
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]+	277.191056	167.6
[M+Na]+	299.172998	170.4
[M-H]-	275.176504	170.4
[M+NH4]+	294.217603	181.0
[M+K]+	315.146938	167.2
[M+H-H2O]+	259.181040	159.6
[M+HCOO]-	321.181981	183.3
[M+CH3COO]-	335.197631	197.7
[M+Na-2H]-	297.158446	170.6
[M]+	276.18323142	162.3
[M]-	276.18432858	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe