CID 49759204

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

Structural Information

Molecular Formula
C7H10F3NO
SMILES
C1CC(CNC1)C(=O)C(F)(F)F
InChI
InChI=1S/C7H10F3NO/c8-7(9,10)6(12)5-2-1-3-11-4-5/h5,11H,1-4H2
InChIKey
VZTJCRHBITYVKB-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-piperidin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.07144 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.078716 135.9
[M+Na]+ 204.060658 141.2
[M-H]- 180.064164 131.9
[M+NH4]+ 199.105263 153.3
[M+K]+ 220.034598 139.0
[M+H-H2O]+ 164.068700 127.6
[M+HCOO]- 226.069641 148.5
[M+CH3COO]- 240.085291 176.3
[M+Na-2H]- 202.046106 139.3
[M]+ 181.07089142 125.3
[M]- 181.07198858 125.3
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.