CID 56773845

3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine hydrochloride

Structural Information

Molecular Formula
C8H10F3N3O
SMILES
C1CC(CNC1)C2=NOC(=N2)C(F)(F)F
InChI
InChI=1S/C8H10F3N3O/c9-8(10,11)7-13-6(14-15-7)5-2-1-3-12-4-5/h5,12H,1-4H2
InChIKey
YWPTWUKWNVTFMK-UHFFFAOYSA-N
Compound name
3-piperidin-3-yl-5-(trifluoromethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

221.07759 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.