CID 66977112

Ethyl 4-(trifluoromethyl)piperidine-4-carboxylate

Structural Information

Molecular Formula

C₉H₁₄F₃NO₂

SMILES

CCOC(=O)C1(CCNCC1)C(F)(F)F

InChI

InChI=1S/C9H14F3NO2/c1-2-15-7(14)8(9(10,11)12)3-5-13-6-4-8/h13H,2-6H2,1H3

InChIKey

AHRBNYBJXZIZAI-UHFFFAOYSA-N

Compound name

ethyl 4-(trifluoromethyl)piperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 225.09766 Da
Monoisotopic Mass: 1.4
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	148.0
[M+Na]+	248.086878	153.5
[M-H]-	224.090384	144.1
[M+NH4]+	243.131483	165.7
[M+K]+	264.060818	151.6
[M+H-H2O]+	208.094920	140.2
[M+HCOO]-	270.095861	160.3
[M+CH3COO]-	284.111511	183.2
[M+Na-2H]-	246.072326	151.6
[M]+	225.09711142	139.8
[M]-	225.09820858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe