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 160.0
[M+Na]+ 298.10252 166.7
[M-H]- 274.10602 160.9
[M+NH4]+ 293.14712 176.6
[M+K]+ 314.07646 165.2
[M+H-H2O]+ 258.11056 150.8
[M+HCOO]- 320.11150 179.7
[M+CH3COO]- 334.12715 204.1
[M+Na-2H]- 296.08797 162.6
[M]+ 275.11275 159.6
[M]- 275.11385 159.6
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