CID 52810925

2093426-51-6

Structural Information

Molecular Formula
C7H12F3N
SMILES
C[C@@H]1CCN[C@@H](C1)C(F)(F)F
InChI
InChI=1S/C7H12F3N/c1-5-2-3-11-6(4-5)7(8,9)10/h5-6,11H,2-4H2,1H3/t5-,6+/m1/s1
InChIKey
WAZJVLNXDYCATL-RITPCOANSA-N
Compound name
(2S,4R)-4-methyl-2-(trifluoromethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

167.09218 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.099456 134.0
[M+Na]+ 190.081398 140.3
[M-H]- 166.084904 130.4
[M+NH4]+ 185.126003 152.5
[M+K]+ 206.055338 137.8
[M+H-H2O]+ 150.089440 126.1
[M+HCOO]- 212.090381 147.2
[M+CH3COO]- 226.106031 175.5
[M+Na-2H]- 188.066846 137.8
[M]+ 167.09163142 123.6
[M]- 167.09272858 123.6
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