CID 165944554

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

Structural Information

Molecular Formula
C7H12F3NO
SMILES
C1CN[C@@H](C[C@@H]1CO)C(F)(F)F
InChI
InChI=1S/C7H12F3NO/c8-7(9,10)6-3-5(4-12)1-2-11-6/h5-6,11-12H,1-4H2/t5-,6+/m1/s1
InChIKey
ZLSQDBUXEKNBBX-RITPCOANSA-N
Compound name
[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0871 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.094376 137.7
[M+Na]+ 206.076318 143.6
[M-H]- 182.079824 132.6
[M+NH4]+ 201.120923 154.8
[M+K]+ 222.050258 140.5
[M+H-H2O]+ 166.084360 129.8
[M+HCOO]- 228.085301 149.7
[M+CH3COO]- 242.100951 174.9
[M+Na-2H]- 204.061766 141.1
[M]+ 183.08655142 126.9
[M]- 183.08764858 126.9
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.