CID 83761728

1539902-30-1

Structural Information

Molecular Formula

C₁₅H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)NCC1CC2=CC=CC=C2NC1

InChI

InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-11-8-12-6-4-5-7-13(12)16-9-11/h4-7,11,16H,8-10H2,1-3H3,(H,17,18)

InChIKey

BNJKIEMYEFWKNX-UHFFFAOYSA-N

Compound name

tert-butyl N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 262.16812 Da
Monoisotopic Mass: 2.9
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]+	263.175396	163.3
[M+Na]+	285.157338	167.6
[M-H]-	261.160844	164.1
[M+NH4]+	280.201943	178.7
[M+K]+	301.131278	164.4
[M+H-H2O]+	245.165380	156.3
[M+HCOO]-	307.166321	179.1
[M+CH3COO]-	321.181971	196.1
[M+Na-2H]-	283.142786	168.5
[M]+	262.16757142	160.4
[M]-	262.16866858	160.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe