CID 3056726

3-(alpha-methyl-m-trifluoromethylphenethylamino)propionic acid methyl ester

Structural Information

Molecular Formula
C14H18F3NO2
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCC(=O)OC
InChI
InChI=1S/C14H18F3NO2/c1-10(18-7-6-13(19)20-2)8-11-4-3-5-12(9-11)14(15,16)17/h3-5,9-10,18H,6-8H2,1-2H3
InChIKey
MSDCTJMQOQGKTG-UHFFFAOYSA-N
Compound name
methyl 3-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.12897 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13625 168.4
[M+Na]+ 312.11819 175.1
[M+NH4]+ 307.16279 172.4
[M+K]+ 328.09213 170.4
[M-H]- 288.12169 164.7
[M+Na-2H]- 310.10364 170.6
[M]+ 289.12842 167.9
[M]- 289.12952 167.9
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

No patent data available for this compound.