CID 30540

Nsc 173768

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

CC1=C(C(=CC=C1)C)OCC2=NCCN2

InChI

InChI=1S/C12H16N2O/c1-9-4-3-5-10(2)12(9)15-8-11-13-6-7-14-11/h3-5H,6-8H2,1-2H3,(H,13,14)

InChIKey

ZPRILVGHSBDMBF-UHFFFAOYSA-N

Compound name

2-[(2,6-dimethylphenoxy)methyl]-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 204.12627 Da
Monoisotopic Mass: 1.7
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]+	205.13355	146.1
[M+Na]+	227.11549	153.9
[M-H]-	203.11899	148.9
[M+NH4]+	222.16009	163.7
[M+K]+	243.08943	150.3
[M+H-H2O]+	187.12353	138.2
[M+HCOO]-	249.12447	166.6
[M+CH3COO]-	263.14012	183.3
[M+Na-2H]-	225.10094	149.7
[M]+	204.12572	145.2
[M]-	204.12682	145.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.