CID 136469

4-(trifluoromethyl)piperidine

Structural Information

Molecular Formula

C₆H₁₀F₃N

SMILES

C1CNCCC1C(F)(F)F

InChI

InChI=1S/C6H10F3N/c7-6(8,9)5-1-3-10-4-2-5/h5,10H,1-4H2

InChIKey

RDRQUUWCJTYHCT-UHFFFAOYSA-N

Compound name

4-(trifluoromethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2676
Patents: 153.07654 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]+	154.083816	129.6
[M+Na]+	176.065758	135.4
[M-H]-	152.069264	125.8
[M+NH4]+	171.110363	148.4
[M+K]+	192.039698	133.1
[M+H-H2O]+	136.073800	121.6
[M+HCOO]-	198.074741	143.2
[M+CH3COO]-	212.090391	171.3
[M+Na-2H]-	174.051206	134.7
[M]+	153.07599142	118.5
[M]-	153.07708858	118.5

Literature stripe

literature stripe

Patent stripe

patents stripe