CID 174709

Glycine, n-ethyl-n-(3-methylphenyl)-, 2,2,2-trifluoroethyl ester

Structural Information

Molecular Formula
C13H16F3NO2
SMILES
CCN(CC(=O)OCC(F)(F)F)C1=CC=CC(=C1)C
InChI
InChI=1S/C13H16F3NO2/c1-3-17(11-6-4-5-10(2)7-11)8-12(18)19-9-13(14,15)16/h4-7H,3,8-9H2,1-2H3
InChIKey
CTPTXCRGTSLBLX-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl 2-(N-ethyl-3-methylanilino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.1133 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12058 164.4
[M+Na]+ 298.10252 171.8
[M+NH4]+ 293.14712 168.9
[M+K]+ 314.07646 167.1
[M-H]- 274.10602 161.3
[M+Na-2H]- 296.08797 167.4
[M]+ 275.11275 164.2
[M]- 275.11385 164.2
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