CID 18687359

2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

CCN1CCC2=C(C1)C=CC=C2N

InChI

InChI=1S/C11H16N2/c1-2-13-7-6-10-9(8-13)4-3-5-11(10)12/h3-5H,2,6-8,12H2,1H3

InChIKey

BQEJAFIVZNAXGW-UHFFFAOYSA-N

Compound name

2-ethyl-3,4-dihydro-1H-isoquinolin-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 176.13135 Da
Monoisotopic Mass: 1.5
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]+	177.13863	138.7
[M+Na]+	199.12057	151.5
[M+NH4]+	194.16517	148.4
[M+K]+	215.09451	144.0
[M-H]-	175.12407	142.3
[M+Na-2H]-	197.10602	145.1
[M]+	176.13080	141.5
[M]-	176.13190	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe