CID 43671

61471-65-6

Structural Information

Molecular Formula
C12H14F3NO3
SMILES
COC(CNCC(=O)O)C1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C12H14F3NO3/c1-19-10(6-16-7-11(17)18)8-3-2-4-9(5-8)12(13,14)15/h2-5,10,16H,6-7H2,1H3,(H,17,18)
InChIKey
XYSDQSSQJHBHQO-UHFFFAOYSA-N
Compound name
2-[[2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0926 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09988 158.4
[M+Na]+ 300.08182 164.4
[M-H]- 276.08532 156.5
[M+NH4]+ 295.12642 173.3
[M+K]+ 316.05576 161.9
[M+H-H2O]+ 260.08986 149.6
[M+HCOO]- 322.09080 175.6
[M+CH3COO]- 336.10645 198.7
[M+Na-2H]- 298.06727 160.7
[M]+ 277.09205 155.3
[M]- 277.09315 155.3
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.