CID 18219

3038-62-8

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CC1=CC=C(C=C1)CC2=NCCN2

InChI

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

InChIKey

JDIRINIGTCUQSX-UHFFFAOYSA-N

Compound name

2-[(4-methylphenyl)methyl]-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 174.11569 Da
Monoisotopic Mass: 3.0
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]+	175.122966	138.4
[M+Na]+	197.104908	145.8
[M-H]-	173.108414	140.9
[M+NH4]+	192.149513	156.9
[M+K]+	213.078848	141.9
[M+H-H2O]+	157.112950	130.5
[M+HCOO]-	219.113891	159.0
[M+CH3COO]-	233.129541	150.8
[M+Na-2H]-	195.090356	143.3
[M]+	174.11514142	135.3
[M]-	174.11623858	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe