CID 54594213

{2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl}(methyl)amine

Structural Information

Molecular Formula
C11H14F3NO
SMILES
CNC(COC)C1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C11H14F3NO/c1-15-10(7-16-2)8-4-3-5-9(6-8)11(12,13)14/h3-6,10,15H,7H2,1-2H3
InChIKey
MLYOKIOAFOIIFT-UHFFFAOYSA-N
Compound name
2-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

233.10275 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.110026 148.9
[M+Na]+ 256.091968 155.9
[M-H]- 232.095474 148.6
[M+NH4]+ 251.136573 166.7
[M+K]+ 272.065908 153.6
[M+H-H2O]+ 216.100010 140.3
[M+HCOO]- 278.100951 168.3
[M+CH3COO]- 292.116601 194.1
[M+Na-2H]- 254.077416 153.2
[M]+ 233.10220142 145.8
[M]- 233.10329858 145.8
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

patents stripe