CID 43426278

1-(2,2,2-trifluoroethyl)piperidin-4-ol

Structural Information

Molecular Formula
C7H12F3NO
SMILES
C1CN(CCC1O)CC(F)(F)F
InChI
InChI=1S/C7H12F3NO/c8-7(9,10)5-11-3-1-6(12)2-4-11/h6,12H,1-5H2
InChIKey
YTMPTUHRRPDUAK-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

183.0871 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09438 143.3
[M+Na]+ 206.07632 150.3
[M+NH4]+ 201.12092 148.7
[M+K]+ 222.05026 145.9
[M-H]- 182.07982 139.1
[M+Na-2H]- 204.06177 145.2
[M]+ 183.08655 142.6
[M]- 183.08765 142.6
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