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 164.4
[M+Na]+ 312.11819 170.4
[M-H]- 288.12169 165.2
[M+NH4]+ 307.16279 180.4
[M+K]+ 328.09213 169.2
[M+H-H2O]+ 272.12623 155.1
[M+HCOO]- 334.12717 182.8
[M+CH3COO]- 348.14282 207.9
[M+Na-2H]- 310.10364 165.3
[M]+ 289.12842 163.7
[M]- 289.12952 163.7
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