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

171
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 137.2
[M+Na]+ 206.07632 143.4
[M-H]- 182.07982 133.5
[M+NH4]+ 201.12092 155.0
[M+K]+ 222.05026 141.3
[M+H-H2O]+ 166.08436 129.0
[M+HCOO]- 228.08530 150.6
[M+CH3COO]- 242.10095 177.5
[M+Na-2H]- 204.06177 141.0
[M]+ 183.08655 128.3
[M]- 183.08765 128.3
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