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 137.8
[M+Na]+ 206.07632 142.4
[M-H]- 182.07982 132.3
[M+NH4]+ 201.12092 154.4
[M+K]+ 222.05026 139.8
[M+H-H2O]+ 166.08436 129.7
[M+HCOO]- 228.08530 148.7
[M+CH3COO]- 242.10095 174.6
[M+Na-2H]- 204.06177 140.6
[M]+ 183.08655 125.9
[M]- 183.08765 125.9
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.