CID 40742

2-(3,4-dihydroisoquinolin-2(1h)-yl)ethanamine

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

C1CN(CC2=CC=CC=C21)CCN

InChI

InChI=1S/C11H16N2/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13/h1-4H,5-9,12H2

InChIKey

JTEJMGHPAYJBTA-UHFFFAOYSA-N

Compound name

2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 103
Patents: 176.13135 Da
Monoisotopic Mass: 0.9
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]+	177.13863	139.0
[M+Na]+	199.12057	151.3
[M+NH4]+	194.16517	148.6
[M+K]+	215.09451	143.6
[M-H]-	175.12407	142.4
[M+Na-2H]-	197.10602	145.6
[M]+	176.13080	141.6
[M]-	176.13190	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe