CID 64675

6942-02-5

Structural Information

Molecular Formula

C₁₈H₃₆N₂O

SMILES

CCCCCCCCCCCCCC1=NCCN1CCO

InChI

InChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-19-14-15-20(18)16-17-21/h21H,2-17H2,1H3

InChIKey

KUHILYGRHCIQJN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 74
Patents: 296.28278 Da
Monoisotopic Mass: 5.0
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]+	297.290056	180.3
[M+Na]+	319.271998	183.1
[M-H]-	295.275504	177.6
[M+NH4]+	314.316603	194.2
[M+K]+	335.245938	178.9
[M+H-H2O]+	279.280040	171.4
[M+HCOO]-	341.280981	197.1
[M+CH3COO]-	355.296631	204.6
[M+Na-2H]-	317.257446	179.0
[M]+	296.28223142	183.7
[M]-	296.28332858	183.7

Literature stripe

literature stripe

Patent stripe

patents stripe