CID 67105981

1151240-91-3

Structural Information

Molecular Formula
C12H14F3NO2
SMILES
CCOC(=O)C[C@@H](CC1=CC(=C(C=C1F)F)F)N
InChI
InChI=1S/C12H14F3NO2/c1-2-18-12(17)5-8(16)3-7-4-10(14)11(15)6-9(7)13/h4,6,8H,2-3,5,16H2,1H3/t8-/m1/s1
InChIKey
SCAQGFRAYMMTNM-MRVPVSSYSA-N
Compound name
ethyl (3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

261.09766 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10494 160.4
[M+Na]+ 284.08688 168.1
[M+NH4]+ 279.13148 164.7
[M+K]+ 300.06082 163.3
[M-H]- 260.09038 157.3
[M+Na-2H]- 282.07233 162.2
[M]+ 261.09711 160.1
[M]- 261.09821 160.1
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