CID 167721233

Rac-ethyl 2-[(2r,4s)-4-(trifluoromethyl)piperidin-2-yl]acetate

Structural Information

Molecular Formula
C10H16F3NO2
SMILES
CCOC(=O)C[C@@H]1C[C@@H](CCN1)C(F)(F)F
InChI
InChI=1S/C10H16F3NO2/c1-2-16-9(15)6-8-5-7(3-4-14-8)10(11,12)13/h7-8,14H,2-6H2,1H3/t7-,8+/m1/s1
InChIKey
UWEQMNWVJNKUAL-SFYZADRCSA-N
Compound name
ethyl 2-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.11331 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12059 152.5
[M+Na]+ 262.10253 157.6
[M-H]- 238.10603 148.4
[M+NH4]+ 257.14713 168.0
[M+K]+ 278.07647 155.1
[M+H-H2O]+ 222.11057 143.8
[M+HCOO]- 284.11151 164.4
[M+CH3COO]- 298.12716 187.9
[M+Na-2H]- 260.08798 153.7
[M]+ 239.11276 144.8
[M]- 239.11386 144.8
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.