CID 22266191

199105-03-8

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=CC=C2N

InChI

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

InChIKey

BSLRAYZVIBFRQQ-UHFFFAOYSA-N

Compound name

tert-butyl 4-(2-aminophenyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 276.18378 Da
Monoisotopic Mass: 2.7
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	167.9
[M+Na]+	299.172998	172.1
[M-H]-	275.176504	172.0
[M+NH4]+	294.217603	182.1
[M+K]+	315.146938	169.4
[M+H-H2O]+	259.181040	160.0
[M+HCOO]-	321.181981	184.5
[M+CH3COO]-	335.197631	200.8
[M+Na-2H]-	297.158446	169.6
[M]+	276.18323142	163.8
[M]-	276.18432858	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe