CID 5181830

1-trifluoroacetyl piperidine

Structural Information

Molecular Formula

C₇H₁₀F₃NO

SMILES

C1CCN(CC1)C(=O)C(F)(F)F

InChI

InChI=1S/C7H10F3NO/c8-7(9,10)6(12)11-4-2-1-3-5-11/h1-5H2

InChIKey

BCJUMGSHTLYECD-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-piperidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 340
Patents: 181.07144 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	182.07872	135.5
[M+Na]+	204.06066	141.3
[M-H]-	180.06416	133.0
[M+NH4]+	199.10526	153.7
[M+K]+	220.03460	140.1
[M+H-H2O]+	164.06870	127.0
[M+HCOO]-	226.06964	149.7
[M+CH3COO]-	240.08529	178.3
[M+Na-2H]-	202.04611	139.4
[M]+	181.07089	126.7
[M]-	181.07199	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe