CID 25888

2-(5,6,7,8-tetrahydro-1-naphthyl)-2-imidazoline

Structural Information

Molecular Formula

C₁₃H₁₆N₂

SMILES

C1CCC2=C(C1)C=CC=C2C3=NCCN3

InChI

InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h3,5,7H,1-2,4,6,8-9H2,(H,14,15)

InChIKey

QRNSHUKDRFLZOX-UHFFFAOYSA-N

Compound name

2-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.13135 Da
Monoisotopic Mass: 2.3
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]+	201.138626	145.3
[M+Na]+	223.120568	151.2
[M-H]-	199.124074	147.9
[M+NH4]+	218.165173	163.4
[M+K]+	239.094508	146.3
[M+H-H2O]+	183.128610	136.9
[M+HCOO]-	245.129551	162.2
[M+CH3COO]-	259.145201	156.4
[M+Na-2H]-	221.106016	149.8
[M]+	200.13080142	138.8
[M]-	200.13189858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe