CID 11041026

54329-61-2

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

C1C(NCC2=CC=CC=C21)CN

InChI

InChI=1S/C10H14N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10,12H,5-7,11H2

InChIKey

QQDYNQIMTRERLH-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrahydroisoquinolin-3-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 162.11569 Da
Monoisotopic Mass: 0.5
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]+	163.12297	134.6
[M+Na]+	185.10491	146.6
[M+NH4]+	180.14951	144.1
[M+K]+	201.07885	139.5
[M-H]-	161.10841	137.6
[M+Na-2H]-	183.09036	140.9
[M]+	162.11514	137.0
[M]-	162.11624	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe