CID 138039796
2241128-53-8
Structural Information
- Molecular Formula
- C8H8F3NO3
- SMILES
- C1CNC=C(C1C(=O)O)C(=O)C(F)(F)F
- InChI
- InChI=1S/C8H8F3NO3/c9-8(10,11)6(13)5-3-12-2-1-4(5)7(14)15/h3-4,12H,1-2H2,(H,14,15)
- InChIKey
- KRRSKJKYVRLOTQ-UHFFFAOYSA-N
- Compound name
- 5-(2,2,2-trifluoroacetyl)-1,2,3,4-tetrahydropyridine-4-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 224.05290 | 142.6 |
[M+Na]+ | 246.03484 | 149.0 |
[M-H]- | 222.03834 | 137.9 |
[M+NH4]+ | 241.07944 | 157.7 |
[M+K]+ | 262.00878 | 146.3 |
[M+H-H2O]+ | 206.04288 | 134.5 |
[M+HCOO]- | 268.04382 | 154.5 |
[M+CH3COO]- | 282.05947 | 181.7 |
[M+Na-2H]- | 244.02029 | 144.3 |
[M]+ | 223.04507 | 133.9 |
[M]- | 223.04617 | 133.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.