CID 849421

84163-77-9

Structural Information

Molecular Formula

C₁₂H₁₃FN₂O

SMILES

C1CNCCC1C2=NOC3=C2C=CC(=C3)F

InChI

InChI=1S/C12H13FN2O/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2

InChIKey

MRMGJMGHPJZSAE-UHFFFAOYSA-N

Compound name

6-fluoro-3-piperidin-4-yl-1,2-benzoxazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1180
Patents: 220.1012 Da
Monoisotopic Mass: 2.0
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]+	221.10848	148.1
[M+Na]+	243.09042	161.2
[M+NH4]+	238.13502	156.4
[M+K]+	259.06436	156.1
[M-H]-	219.09392	151.2
[M+Na-2H]-	241.07587	154.1
[M]+	220.10065	150.7
[M]-	220.10175	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe