CID 245858

2-undecylimidazoline

Structural Information

Molecular Formula

C₁₄H₂₈N₂

SMILES

CCCCCCCCCCCC1=NCCN1

InChI

InChI=1S/C14H28N2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14/h2-13H2,1H3,(H,15,16)

InChIKey

FQHUDZKKDCTQET-UHFFFAOYSA-N

Compound name

2-undecyl-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2434
Patents: 224.22525 Da
Monoisotopic Mass: 4.4
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]+	225.232526	159.8
[M+Na]+	247.214468	163.5
[M-H]-	223.217974	157.4
[M+NH4]+	242.259073	176.4
[M+K]+	263.188408	159.9
[M+H-H2O]+	207.222510	151.5
[M+HCOO]-	269.223451	177.8
[M+CH3COO]-	283.239101	189.7
[M+Na-2H]-	245.199916	161.3
[M]+	224.22470142	159.9
[M]-	224.22579858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe