CID 186582

98318-77-5

Structural Information

Molecular Formula

C₁₄H₁₂N₂

SMILES

C1=CC=C2C=C(C=CC2=C1)CN3C=CN=C3

InChI

InChI=1S/C14H12N2/c1-2-4-14-9-12(5-6-13(14)3-1)10-16-8-7-15-11-16/h1-9,11H,10H2

InChIKey

YYUNLYGEACGPFE-UHFFFAOYSA-N

Compound name

1-(naphthalen-2-ylmethyl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 15
Patents: 208.10005 Da
Monoisotopic Mass: 2.9
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]+	209.10733	144.2
[M+Na]+	231.08927	154.3
[M-H]-	207.09277	149.6
[M+NH4]+	226.13387	163.1
[M+K]+	247.06321	149.1
[M+H-H2O]+	191.09731	135.6
[M+HCOO]-	253.09825	168.0
[M+CH3COO]-	267.11390	157.8
[M+Na-2H]-	229.07472	152.8
[M]+	208.09950	145.6
[M]-	208.10060	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe