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]+ 265.15224 162.0
[M+Na]+ 287.13418 164.5
[M-H]- 263.13768 158.6
[M+NH4]+ 282.17878 174.3
[M+K]+ 303.10812 160.7
[M+H-H2O]+ 247.14222 151.2
[M+HCOO]- 309.14316 168.7
[M+CH3COO]- 323.15881 191.4
[M+Na-2H]- 285.11963 161.5
[M]+ 264.14441 147.3
[M]- 264.14551 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.