CID 82417099

2138550-57-7

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1CC(CNC1)C2=NOC=C2

InChI

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

InChIKey

VSZULPXTKFSKGH-UHFFFAOYSA-N

Compound name

3-piperidin-3-yl-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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

No patent data available for this compound.