CID 165793622

2825011-84-3

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]+ 226.068556 143.5
[M+Na]+ 248.050498 151.1
[M-H]- 224.054004 141.7
[M+NH4]+ 243.095103 160.5
[M+K]+ 264.024438 150.1
[M+H-H2O]+ 208.058540 135.3
[M+HCOO]- 270.059481 158.1
[M+CH3COO]- 284.075131 186.2
[M+Na-2H]- 246.035946 145.8
[M]+ 225.06073142 138.0
[M]- 225.06182858 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.