CID 71695431

2034156-74-4

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1CNCCC1C2=CN=CO2

InChI

InChI=1S/C8H12N2O/c1-3-9-4-2-7(1)8-5-10-6-11-8/h5-7,9H,1-4H2

InChIKey

QTKSQWPXEJNCPI-UHFFFAOYSA-N

Compound name

5-piperidin-4-yl-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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	131.3
[M+Na]+	175.08418	137.0
[M-H]-	151.08768	133.8
[M+NH4]+	170.12878	148.9
[M+K]+	191.05812	135.8
[M+H-H2O]+	135.09222	123.6
[M+HCOO]-	197.09316	149.3
[M+CH3COO]-	211.10881	143.5
[M+Na-2H]-	173.06963	137.1
[M]+	152.09441	125.9
[M]-	152.09551	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe