CID 111974

2-hexyl-4,5-dihydro-1h-imidazole-1-ethanol

Structural Information

Molecular Formula

C₁₁H₂₂N₂O

SMILES

CCCCCCC1=NCCN1CCO

InChI

InChI=1S/C11H22N2O/c1-2-3-4-5-6-11-12-7-8-13(11)9-10-14/h14H,2-10H2,1H3

InChIKey

WXHNLQJZJOWHJB-UHFFFAOYSA-N

Compound name

2-(2-hexyl-4,5-dihydroimidazol-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.17322 Da
Monoisotopic Mass: 1.2
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]+	199.18050	149.3
[M+Na]+	221.16244	155.2
[M-H]-	197.16594	147.9
[M+NH4]+	216.20704	167.2
[M+K]+	237.13638	152.7
[M+H-H2O]+	181.17048	141.8
[M+HCOO]-	243.17142	168.5
[M+CH3COO]-	257.18707	183.7
[M+Na-2H]-	219.14789	151.7
[M]+	198.17267	150.1
[M]-	198.17377	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe