CID 13201295

N-{[2-(trifluoromethyl)phenyl]methyl}cyclopentanamine

Structural Information

Molecular Formula

C₁₃H₁₆F₃N

SMILES

C1CCC(C1)NCC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C13H16F3N/c14-13(15,16)12-8-4-1-5-10(12)9-17-11-6-2-3-7-11/h1,4-5,8,11,17H,2-3,6-7,9H2

InChIKey

VDZOYKXKTRHXGF-UHFFFAOYSA-N

Compound name

N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.12349 Da
Monoisotopic Mass: 3.4
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]+	244.130766	152.1
[M+Na]+	266.112708	157.8
[M-H]-	242.116214	154.2
[M+NH4]+	261.157313	170.8
[M+K]+	282.086648	153.7
[M+H-H2O]+	226.120750	143.0
[M+HCOO]-	288.121691	171.0
[M+CH3COO]-	302.137341	193.5
[M+Na-2H]-	264.098156	154.8
[M]+	243.12294142	144.4
[M]-	243.12403858	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.