CID 124564213

2287239-64-7

Structural Information

Molecular Formula
C8H12F3NO2
SMILES
COC(=O)[C@H]1C[C@@H](CNC1)C(F)(F)F
InChI
InChI=1S/C8H12F3NO2/c1-14-7(13)5-2-6(4-12-3-5)8(9,10)11/h5-6,12H,2-4H2,1H3/t5-,6-/m0/s1
InChIKey
ZFYKDGRNKLVWMO-WDSKDSINSA-N
Compound name
methyl (3S,5S)-5-(trifluoromethyl)piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.08202 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08930 143.3
[M+Na]+ 234.07124 149.2
[M-H]- 210.07474 139.6
[M+NH4]+ 229.11584 159.8
[M+K]+ 250.04518 147.2
[M+H-H2O]+ 194.07928 135.0
[M+HCOO]- 256.08022 155.9
[M+CH3COO]- 270.09587 181.8
[M+Na-2H]- 232.05669 145.5
[M]+ 211.08147 134.8
[M]- 211.08257 134.8
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.