CID 59198587

2-(oxan-4-yl)-1h-imidazole

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1COCCC1C2=NC=CN2

InChI

InChI=1S/C8H12N2O/c1-5-11-6-2-7(1)8-9-3-4-10-8/h3-4,7H,1-2,5-6H2,(H,9,10)

InChIKey

TVMWYYYSKTWBPB-UHFFFAOYSA-N

Compound name

2-(oxan-4-yl)-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 152.09496 Da
Monoisotopic Mass: 0.5
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]+	153.10224	132.7
[M+Na]+	175.08418	144.0
[M+NH4]+	170.12878	141.1
[M+K]+	191.05812	140.1
[M-H]-	151.08768	136.0
[M+Na-2H]-	173.06963	138.8
[M]+	152.09441	135.0
[M]-	152.09551	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe