CID 10399795

159277-08-4

Structural Information

Molecular Formula

C₁₁H₁₄F₃NO₂

SMILES

COC1=CC(=C(C=C1CCN)OC)C(F)(F)F

InChI

InChI=1S/C11H14F3NO2/c1-16-9-6-8(11(12,13)14)10(17-2)5-7(9)3-4-15/h5-6H,3-4,15H2,1-2H3

InChIKey

LYXGNMLWYONZID-UHFFFAOYSA-N

Compound name

2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 108
Patents: 249.09766 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]+	250.10494	152.0
[M+Na]+	272.08688	161.0
[M-H]-	248.09038	151.7
[M+NH4]+	267.13148	169.4
[M+K]+	288.06082	158.4
[M+H-H2O]+	232.09492	143.6
[M+HCOO]-	294.09586	171.9
[M+CH3COO]-	308.11151	197.1
[M+Na-2H]-	270.07233	155.1
[M]+	249.09711	150.7
[M]-	249.09821	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe