CID 57370284

N-trifluoroacetyl-l-tyrosine methyl ester

Structural Information

Molecular Formula
C12H12F3NO4
SMILES
COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C(F)(F)F
InChI
InChI=1S/C12H12F3NO4/c1-20-10(18)9(16-11(19)12(13,14)15)6-7-2-4-8(17)5-3-7/h2-5,9,17H,6H2,1H3,(H,16,19)/t9-/m0/s1
InChIKey
RPUGHMMKNNBUQA-VIFPVBQESA-N
Compound name
methyl (2S)-3-(4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.07184 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.07912 164.2
[M+Na]+ 314.06106 169.5
[M+NH4]+ 309.10566 166.7
[M+K]+ 330.03500 167.4
[M-H]- 290.06456 158.7
[M+Na-2H]- 312.04651 165.1
[M]+ 291.07129 162.7
[M]- 291.07239 162.7
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.