CID 47002744

2,2,2-trifluoroethyl piperidine-1-carboxylate

Structural Information

Molecular Formula
C8H12F3NO2
SMILES
C1CCN(CC1)C(=O)OCC(F)(F)F
InChI
InChI=1S/C8H12F3NO2/c9-8(10,11)6-14-7(13)12-4-2-1-3-5-12/h1-6H2
InChIKey
VWSSKHWULVBDEU-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

211.08202 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08930 143.4
[M+Na]+ 234.07124 148.8
[M-H]- 210.07474 140.7
[M+NH4]+ 229.11584 160.4
[M+K]+ 250.04518 147.8
[M+H-H2O]+ 194.07928 134.5
[M+HCOO]- 256.08022 157.5
[M+CH3COO]- 270.09587 182.6
[M+Na-2H]- 232.05669 146.8
[M]+ 211.08147 136.3
[M]- 211.08257 136.3
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

patents stripe