CID 4460996

219862-14-3

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)NC1CC2=CC=CC=C2NC1

InChI

InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-11-8-10-6-4-5-7-12(10)15-9-11/h4-7,11,15H,8-9H2,1-3H3,(H,16,17)

InChIKey

GAURNOYXRZQBNV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 74
Patents: 248.15248 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]+	249.15976	158.1
[M+Na]+	271.14170	168.0
[M+NH4]+	266.18630	165.3
[M+K]+	287.11564	162.8
[M-H]-	247.14520	159.0
[M+Na-2H]-	269.12715	162.3
[M]+	248.15193	159.5
[M]-	248.15303	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe