CID 55181625

1351499-82-5

Structural Information

Molecular Formula

C₈H₁₀F₃N₃O

SMILES

C1CNCCC1C2=NOC(=N2)C(F)(F)F

InChI

InChI=1S/C8H10F3N3O/c9-8(10,11)7-13-6(14-15-7)5-1-3-12-4-2-5/h5,12H,1-4H2

InChIKey

VJRQCSHFPITZMX-UHFFFAOYSA-N

Compound name

3-piperidin-4-yl-5-(trifluoromethyl)-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 221.07759 Da
Monoisotopic Mass: 1.2
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]+	222.08487	144.5
[M+Na]+	244.06681	151.7
[M-H]-	220.07031	142.1
[M+NH4]+	239.11141	158.2
[M+K]+	260.04075	149.3
[M+H-H2O]+	204.07485	133.8
[M+HCOO]-	266.07579	156.3
[M+CH3COO]-	280.09144	181.7
[M+Na-2H]-	242.05226	148.3
[M]+	221.07704	136.1
[M]-	221.07814	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe