CID 63846507

1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethan-1-one hydrochloride

Structural Information

Molecular Formula
C9H14F3NO
SMILES
CC(=O)C1CCN(CC1)CC(F)(F)F
InChI
InChI=1S/C9H14F3NO/c1-7(14)8-2-4-13(5-3-8)6-9(10,11)12/h8H,2-6H2,1H3
InChIKey
MUSSYPFORZKOAY-UHFFFAOYSA-N
Compound name
1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.10275 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11003 144.1
[M+Na]+ 232.09197 150.0
[M-H]- 208.09547 141.6
[M+NH4]+ 227.13657 161.4
[M+K]+ 248.06591 148.2
[M+H-H2O]+ 192.10001 135.5
[M+HCOO]- 254.10095 157.6
[M+CH3COO]- 268.11660 186.1
[M+Na-2H]- 230.07742 146.2
[M]+ 209.10220 136.5
[M]- 209.10330 136.5
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.