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]+ 250.068556 149.0
[M+Na]+ 272.050498 156.5
[M-H]- 248.054004 147.2
[M+NH4]+ 267.095103 164.9
[M+K]+ 288.024438 154.2
[M+H-H2O]+ 232.058540 141.2
[M+HCOO]- 294.059481 165.6
[M+CH3COO]- 308.075131 191.7
[M+Na-2H]- 270.035946 153.5
[M]+ 249.06073142 144.2
[M]- 249.06182858 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.