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

26
Patents

247.1184 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12568 153.7
[M+Na]+ 270.10762 160.2
[M-H]- 246.11112 153.1
[M+NH4]+ 265.15222 170.8
[M+K]+ 286.08156 157.6
[M+H-H2O]+ 230.11566 144.9
[M+HCOO]- 292.11660 172.7
[M+CH3COO]- 306.13225 197.2
[M+Na-2H]- 268.09307 157.4
[M]+ 247.11785 150.9
[M]- 247.11895 150.9
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