CID 165880464

2839138-28-0

Structural Information

Molecular Formula

C₉H₁₄F₃NO₂

SMILES

COC(=O)C1CCCC(N1)CC(F)(F)F

InChI

InChI=1S/C9H14F3NO2/c1-15-8(14)7-4-2-3-6(13-7)5-9(10,11)12/h6-7,13H,2-5H2,1H3

InChIKey

YIBYXKBYQMXNBH-UHFFFAOYSA-N

Compound name

methyl 6-(2,2,2-trifluoroethyl)piperidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.09766 Da
Monoisotopic Mass: 2.1
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]+	226.104936	147.9
[M+Na]+	248.086878	153.4
[M-H]-	224.090384	144.0
[M+NH4]+	243.131483	163.9
[M+K]+	264.060818	151.2
[M+H-H2O]+	208.094920	139.4
[M+HCOO]-	270.095861	160.1
[M+CH3COO]-	284.111511	184.8
[M+Na-2H]-	246.072326	149.6
[M]+	225.09711142	139.8
[M]-	225.09820858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.