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
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 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.