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]+ 182.07872 135.1
[M+Na]+ 204.06066 142.1
[M-H]- 180.06416 132.9
[M+NH4]+ 199.10526 153.6
[M+K]+ 220.03460 140.3
[M+H-H2O]+ 164.06870 126.7
[M+HCOO]- 226.06964 150.3
[M+CH3COO]- 240.08529 179.2
[M+Na-2H]- 202.04611 139.5
[M]+ 181.07089 127.4
[M]- 181.07199 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.