CID 64137114

2-amino-3,3,3-trifluoro-2-(3-methoxyphenyl)propanoic acid

Structural Information

Molecular Formula
C10H10F3NO3
SMILES
COC1=CC=CC(=C1)C(C(=O)O)(C(F)(F)F)N
InChI
InChI=1S/C10H10F3NO3/c1-17-7-4-2-3-6(5-7)9(14,8(15)16)10(11,12)13/h2-5H,14H2,1H3,(H,15,16)
InChIKey
TZGOEAGUFDXFRQ-UHFFFAOYSA-N
Compound name
2-amino-3,3,3-trifluoro-2-(3-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.06128 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06856 149.0
[M+Na]+ 272.05050 156.5
[M-H]- 248.05400 147.2
[M+NH4]+ 267.09510 164.9
[M+K]+ 288.02444 154.2
[M+H-H2O]+ 232.05854 141.2
[M+HCOO]- 294.05948 165.6
[M+CH3COO]- 308.07513 191.7
[M+Na-2H]- 270.03595 153.5
[M]+ 249.06073 144.2
[M]- 249.06183 144.2
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

No patent data available for this compound.