CID 165793622

Methyl4-oxo-3-(trifluoromethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C8H10F3NO3
SMILES
COC(=O)N1CCC(=O)C(C1)C(F)(F)F
InChI
InChI=1S/C8H10F3NO3/c1-15-7(14)12-3-2-6(13)5(4-12)8(9,10)11/h5H,2-4H2,1H3
InChIKey
QENYROXVTNTYCY-UHFFFAOYSA-N
Compound name
methyl 4-oxo-3-(trifluoromethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.06128 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06856 143.5
[M+Na]+ 248.05050 151.1
[M-H]- 224.05400 141.7
[M+NH4]+ 243.09510 160.5
[M+K]+ 264.02444 150.1
[M+H-H2O]+ 208.05854 135.3
[M+HCOO]- 270.05948 158.1
[M+CH3COO]- 284.07513 186.2
[M+Na-2H]- 246.03595 145.8
[M]+ 225.06073 138.0
[M]- 225.06183 138.0
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.