CID 17804479

945389-41-3

Structural Information

Molecular Formula

C₁₃H₁₄N₂

SMILES

C1CC(C2=CC=CC=C2C1)C3=NC=CN3

InChI

InChI=1S/C13H14N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,8-9,12H,3,5,7H2,(H,14,15)

InChIKey

BLXFHJKHZWXNDP-UHFFFAOYSA-N

Compound name

2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 24
Patents: 198.11569 Da
Monoisotopic Mass: 2.7
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]+	199.122966	143.6
[M+Na]+	221.104908	150.6
[M-H]-	197.108414	146.7
[M+NH4]+	216.149513	161.9
[M+K]+	237.078848	145.5
[M+H-H2O]+	181.112950	135.3
[M+HCOO]-	243.113891	162.0
[M+CH3COO]-	257.129541	155.3
[M+Na-2H]-	219.090356	149.3
[M]+	198.11514142	138.6
[M]-	198.11623858	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe