CID 3021558

89781-63-5

Structural Information

Molecular Formula

C₁₃H₁₂N₂

SMILES

C1CC(=CC2=CC=CC=C21)N3C=CN=C3

InChI

InChI=1S/C13H12N2/c1-2-4-12-9-13(6-5-11(12)3-1)15-8-7-14-10-15/h1-4,7-10H,5-6H2

InChIKey

DHUCLDOIXQGVDQ-UHFFFAOYSA-N

Compound name

1-(3,4-dihydronaphthalen-2-yl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 19
Patents: 196.10005 Da
Monoisotopic Mass: 2.5
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]+	197.10733	141.8
[M+Na]+	219.08927	150.3
[M-H]-	195.09277	146.7
[M+NH4]+	214.13387	161.1
[M+K]+	235.06321	145.9
[M+H-H2O]+	179.09731	133.3
[M+HCOO]-	241.09825	163.2
[M+CH3COO]-	255.11390	154.8
[M+Na-2H]-	217.07472	149.0
[M]+	196.09950	140.1
[M]-	196.10060	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe