CID 47570

2-imidazoline, 2-benzyl-1-methyl-

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CN1CCN=C1CC2=CC=CC=C2

InChI

InChI=1S/C11H14N2/c1-13-8-7-12-11(13)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3

InChIKey

FGIHSZXDNYRAKQ-UHFFFAOYSA-N

Compound name

2-benzyl-1-methyl-4,5-dihydroimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 401
Patents: 174.11569 Da
Monoisotopic Mass: 1.0
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]+	175.12297	137.8
[M+Na]+	197.10491	145.6
[M-H]-	173.10841	141.6
[M+NH4]+	192.14951	157.1
[M+K]+	213.07885	142.7
[M+H-H2O]+	157.11295	129.6
[M+HCOO]-	219.11389	159.9
[M+CH3COO]-	233.12954	150.9
[M+Na-2H]-	195.09036	143.1
[M]+	174.11514	136.6
[M]-	174.11624	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe