CID 4083416

474539-25-8

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)NC1=CC2=C(C=C1)NCCC2

InChI

InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-11-6-7-12-10(9-11)5-4-8-15-12/h6-7,9,15H,4-5,8H2,1-3H3,(H,16,17)

InChIKey

GZZOYMCNZSCLDW-UHFFFAOYSA-N

Compound name

tert-butyl N-(1,2,3,4-tetrahydroquinolin-6-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 248.15248 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]+	249.159756	158.7
[M+Na]+	271.141698	163.5
[M-H]-	247.145204	159.7
[M+NH4]+	266.186303	174.7
[M+K]+	287.115638	160.5
[M+H-H2O]+	231.149740	151.9
[M+HCOO]-	293.150681	174.9
[M+CH3COO]-	307.166331	193.1
[M+Na-2H]-	269.127146	164.4
[M]+	248.15193142	155.5
[M]-	248.15302858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe