CID 192913

N-ethyl-beta-methoxy-m-trifluoromethylphenethylamine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₆F₃NO

SMILES

CCNCC(C1=CC(=CC=C1)C(F)(F)F)OC

InChI

InChI=1S/C12H16F3NO/c1-3-16-8-11(17-2)9-5-4-6-10(7-9)12(13,14)15/h4-7,11,16H,3,8H2,1-2H3

InChIKey

JGJJZSVNDGGHNA-UHFFFAOYSA-N

Compound name

N-ethyl-2-methoxy-2-[3-(trifluoromethyl)phenyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 247.1184 Da
Monoisotopic Mass: 2.4
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]+	248.125676	153.7
[M+Na]+	270.107618	160.2
[M-H]-	246.111124	153.1
[M+NH4]+	265.152223	170.8
[M+K]+	286.081558	157.6
[M+H-H2O]+	230.115660	144.9
[M+HCOO]-	292.116601	172.7
[M+CH3COO]-	306.132251	197.2
[M+Na-2H]-	268.093066	157.4
[M]+	247.11785142	150.9
[M]-	247.11894858	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe