CID 150243867

2567489-27-2

Structural Information

Molecular Formula
C7H10F3NO2
SMILES
C1[C@@H](CNC[C@@H]1C(F)(F)F)C(=O)O
InChI
InChI=1S/C7H10F3NO2/c8-7(9,10)5-1-4(6(12)13)2-11-3-5/h4-5,11H,1-3H2,(H,12,13)/t4-,5+/m0/s1
InChIKey
FYCAOBWFMRWJHV-CRCLSJGQSA-N
Compound name
(3S,5R)-5-(trifluoromethyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06636 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07364 145.2
[M+Na]+ 220.05558 150.9
[M+NH4]+ 215.10018 149.3
[M+K]+ 236.02952 148.0
[M-H]- 196.05908 139.6
[M+Na-2H]- 218.04103 145.7
[M]+ 197.06581 143.8
[M]- 197.06691 143.8
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.