CID 122157006

2,2,2-trifluoro-1-[3-(piperidin-2-yl)piperidin-1-yl]ethan-1-one hydrochloride

Structural Information

Molecular Formula
C12H19F3N2O
SMILES
C1CCNC(C1)C2CCCN(C2)C(=O)C(F)(F)F
InChI
InChI=1S/C12H19F3N2O/c13-12(14,15)11(18)17-7-3-4-9(8-17)10-5-1-2-6-16-10/h9-10,16H,1-8H2
InChIKey
OTDXOACONCIDHG-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(3-piperidin-2-ylpiperidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.14496 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.152236 162.0
[M+Na]+ 287.134178 164.5
[M-H]- 263.137684 158.6
[M+NH4]+ 282.178783 174.3
[M+K]+ 303.108118 160.7
[M+H-H2O]+ 247.142220 151.2
[M+HCOO]- 309.143161 168.7
[M+CH3COO]- 323.158811 191.4
[M+Na-2H]- 285.119626 161.5
[M]+ 264.14441142 147.3
[M]- 264.14550858 147.3
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

No patent data available for this compound.