CID 27139

Beta-methoxy-n-methyl-m-trifluoromethylphenethylamine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2094
Patents

233.10275 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11003 148.9
[M+Na]+ 256.09197 155.9
[M-H]- 232.09547 148.6
[M+NH4]+ 251.13657 166.7
[M+K]+ 272.06591 153.6
[M+H-H2O]+ 216.10001 140.3
[M+HCOO]- 278.10095 168.3
[M+CH3COO]- 292.11660 194.1
[M+Na-2H]- 254.07742 153.2
[M]+ 233.10220 145.8
[M]- 233.10330 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

literature stripe

Patent stripe

patents stripe