CID 3024373

Benzeneethanamine, n-(acetyloxy)-n-ethyl-alpha-methyl-3-(trifluoromethyl)-

Structural Information

Molecular Formula
C14H18F3NO2
SMILES
CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)OC(=O)C
InChI
InChI=1S/C14H18F3NO2/c1-4-18(20-11(3)19)10(2)8-12-6-5-7-13(9-12)14(15,16)17/h5-7,9-10H,4,8H2,1-3H3
InChIKey
HOIYTQCECNBOHK-UHFFFAOYSA-N
Compound name
[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

289.12897 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13625 168.4
[M+Na]+ 312.11819 175.3
[M+NH4]+ 307.16279 172.7
[M+K]+ 328.09213 171.1
[M-H]- 288.12169 165.1
[M+Na-2H]- 310.10364 170.9
[M]+ 289.12842 168.1
[M]- 289.12952 168.1
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