CID 82596368

1864063-83-1

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

C1CCC2=NC=CC(=C2C1)CN

InChI

InChI=1S/C10H14N2/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h5-6H,1-4,7,11H2

InChIKey

AGODONHWDOQBKK-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrahydroquinolin-4-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.11569 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]+	163.122966	134.0
[M+Na]+	185.104908	140.5
[M-H]-	161.108414	136.1
[M+NH4]+	180.149513	153.9
[M+K]+	201.078848	137.4
[M+H-H2O]+	145.112950	127.1
[M+HCOO]-	207.113891	154.4
[M+CH3COO]-	221.129541	146.4
[M+Na-2H]-	183.090356	141.7
[M]+	162.11514142	129.3
[M]-	162.11623858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.