CID 81716293

1-(2,2,2-trifluoroethyl)piperidin-3-one

Structural Information

Molecular Formula
C7H10F3NO
SMILES
C1CC(=O)CN(C1)CC(F)(F)F
InChI
InChI=1S/C7H10F3NO/c8-7(9,10)5-11-3-1-2-6(12)4-11/h1-5H2
InChIKey
DXAKJSORNYOXSN-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)piperidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.07144 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.078716 135.1
[M+Na]+ 204.060658 142.1
[M-H]- 180.064164 132.9
[M+NH4]+ 199.105263 153.6
[M+K]+ 220.034598 140.3
[M+H-H2O]+ 164.068700 126.7
[M+HCOO]- 226.069641 150.3
[M+CH3COO]- 240.085291 179.2
[M+Na-2H]- 202.046106 139.5
[M]+ 181.07089142 127.4
[M]- 181.07198858 127.4
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.