CID 3046424

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

Structural Information

Molecular Formula
C13H18F3NO
SMILES
CCNC(C)C(C1=CC(=CC=C1)C(F)(F)F)OC
InChI
InChI=1S/C13H18F3NO/c1-4-17-9(2)12(18-3)10-6-5-7-11(8-10)13(14,15)16/h5-9,12,17H,4H2,1-3H3
InChIKey
FILZBZDBVSGTSK-UHFFFAOYSA-N
Compound name
N-ethyl-1-methoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.13406 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14134 158.4
[M+Na]+ 284.12328 164.2
[M-H]- 260.12678 157.7
[M+NH4]+ 279.16788 174.9
[M+K]+ 300.09722 161.9
[M+H-H2O]+ 244.13132 149.5
[M+HCOO]- 306.13226 176.0
[M+CH3COO]- 320.14791 201.0
[M+Na-2H]- 282.10873 160.3
[M]+ 261.13351 155.3
[M]- 261.13461 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.