CID 83849510

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

Structural Information

Molecular Formula
C9H11F3N2O
SMILES
C1CNCCC1C2=CC(=NO2)C(F)(F)F
InChI
InChI=1S/C9H11F3N2O/c10-9(11,12)8-5-7(15-14-8)6-1-3-13-4-2-6/h5-6,13H,1-4H2
InChIKey
NBIHCSYTJBZZKZ-UHFFFAOYSA-N
Compound name
5-piperidin-4-yl-3-(trifluoromethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.08235 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08963 144.3
[M+Na]+ 243.07157 151.1
[M-H]- 219.07507 143.2
[M+NH4]+ 238.11617 159.4
[M+K]+ 259.04551 148.7
[M+H-H2O]+ 203.07961 134.5
[M+HCOO]- 265.08055 157.2
[M+CH3COO]- 279.09620 181.8
[M+Na-2H]- 241.05702 147.9
[M]+ 220.08180 135.7
[M]- 220.08290 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.