CID 3059787

77234-84-5

Structural Information

Molecular Formula

C₁₇H₂₂N₂O

SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(CN3C=CN=C3)O

InChI

InChI=1S/C17H22N2O/c20-17(12-19-11-10-18-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-11,13-14,17,20H,1-5,12H2

InChIKey

KVRFDUMBYULIRY-UHFFFAOYSA-N

Compound name

1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 270.17322 Da
Monoisotopic Mass: 3.7
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]+	271.180496	164.9
[M+Na]+	293.162438	168.4
[M-H]-	269.165944	169.4
[M+NH4]+	288.207043	178.6
[M+K]+	309.136378	163.7
[M+H-H2O]+	253.170480	155.1
[M+HCOO]-	315.171421	181.1
[M+CH3COO]-	329.187071	174.3
[M+Na-2H]-	291.147886	165.6
[M]+	270.17267142	159.2
[M]-	270.17376858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe