CID 45602092

2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetic acid hydrochloride

Structural Information

Molecular Formula

C₉H₁₄F₃NO₂

SMILES

C1CN(CCC1CC(=O)O)CC(F)(F)F

InChI

InChI=1S/C9H14F3NO2/c10-9(11,12)6-13-3-1-7(2-4-13)5-8(14)15/h7H,1-6H2,(H,14,15)

InChIKey

HGCQBESVKCIVOY-UHFFFAOYSA-N

Compound name

2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.09766 Da
Monoisotopic Mass: -0.7
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]+	226.104936	147.7
[M+Na]+	248.086878	153.1
[M-H]-	224.090384	143.7
[M+NH4]+	243.131483	163.6
[M+K]+	264.060818	150.9
[M+H-H2O]+	208.094920	139.2
[M+HCOO]-	270.095861	159.9
[M+CH3COO]-	284.111511	185.5
[M+Na-2H]-	246.072326	149.4
[M]+	225.09711142	139.6
[M]-	225.09820858	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe