CID 118764

4-methyl-2-undecyl-1h-imidazole

Structural Information

Molecular Formula

C₁₅H₂₈N₂

SMILES

CCCCCCCCCCCC1=NC=C(N1)C

InChI

InChI=1S/C15H28N2/c1-3-4-5-6-7-8-9-10-11-12-15-16-13-14(2)17-15/h13H,3-12H2,1-2H3,(H,16,17)

InChIKey

JQEVCCUJHLRAEY-UHFFFAOYSA-N

Compound name

5-methyl-2-undecyl-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 435
Patents: 236.22525 Da
Monoisotopic Mass: 6.0
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]+	237.23253	162.1
[M+Na]+	259.21447	172.2
[M+NH4]+	254.25907	169.0
[M+K]+	275.18841	165.9
[M-H]-	235.21797	162.1
[M+Na-2H]-	257.19992	165.6
[M]+	236.22470	163.4
[M]-	236.22580	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe