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]+ 168.09946 134.0
[M+Na]+ 190.08140 140.3
[M-H]- 166.08490 130.4
[M+NH4]+ 185.12600 152.5
[M+K]+ 206.05534 137.8
[M+H-H2O]+ 150.08944 126.1
[M+HCOO]- 212.09038 147.2
[M+CH3COO]- 226.10603 175.5
[M+Na-2H]- 188.06685 137.8
[M]+ 167.09163 123.6
[M]- 167.09273 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