CID 50990579

2,2,2-trifluoro-1-(piperidin-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C7H12F3NO
SMILES
C1CC(CNC1)C(C(F)(F)F)O
InChI
InChI=1S/C7H12F3NO/c8-7(9,10)6(12)5-2-1-3-11-4-5/h5-6,11-12H,1-4H2
InChIKey
NKVGSTBMABUXRA-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-piperidin-3-ylethanol
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]+ 184.09438 142.6
[M+Na]+ 206.07632 148.4
[M+NH4]+ 201.12092 147.5
[M+K]+ 222.05026 144.9
[M-H]- 182.07982 137.6
[M+Na-2H]- 204.06177 143.9
[M]+ 183.08655 141.4
[M]- 183.08765 141.4
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.