CID 165797654

5-(oxan-4-yl)-1,3-oxazole

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

C1COCCC1C2=CN=CO2

InChI

InChI=1S/C8H11NO2/c1-3-10-4-2-7(1)8-5-9-6-11-8/h5-7H,1-4H2

InChIKey

YBXIOGOVIYOCRD-UHFFFAOYSA-N

Compound name

5-(oxan-4-yl)-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 153.07898 Da
Monoisotopic Mass: 0.8
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]+	154.08626	130.7
[M+Na]+	176.06820	142.7
[M+NH4]+	171.11280	139.7
[M+K]+	192.04214	139.2
[M-H]-	152.07170	136.2
[M+Na-2H]-	174.05365	137.0
[M]+	153.07843	133.9
[M]-	153.07953	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe