CID 485416

16065-26-2

Structural Information

Molecular Formula

C₁₁H₁₄F₃N

SMILES

CCCNCC1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C11H14F3N/c1-2-6-15-8-9-4-3-5-10(7-9)11(12,13)14/h3-5,7,15H,2,6,8H2,1H3

InChIKey

CPXTUPBVFMKPOF-UHFFFAOYSA-N

Compound name

N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 217.10783 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]+	218.11511	145.4
[M+Na]+	240.09705	152.8
[M-H]-	216.10055	145.0
[M+NH4]+	235.14165	163.9
[M+K]+	256.07099	149.4
[M+H-H2O]+	200.10509	137.0
[M+HCOO]-	262.10603	165.6
[M+CH3COO]-	276.12168	191.3
[M+Na-2H]-	238.08250	150.9
[M]+	217.10728	141.5
[M]-	217.10838	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe