CID 83916790
1-methyl-6-(trifluoromethyl)piperidine-3-carboxylic acid hydrochloride
Structural Information
- Molecular Formula
- C8H12F3NO2
- SMILES
- CN1CC(CCC1C(F)(F)F)C(=O)O
- InChI
- InChI=1S/C8H12F3NO2/c1-12-4-5(7(13)14)2-3-6(12)8(9,10)11/h5-6H,2-4H2,1H3,(H,13,14)
- InChIKey
- IOHMWJTUQASNOG-UHFFFAOYSA-N
- Compound name
- 1-methyl-6-(trifluoromethyl)piperidine-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 212.08930 | 142.5 |
[M+Na]+ | 234.07124 | 149.4 |
[M-H]- | 210.07474 | 139.2 |
[M+NH4]+ | 229.11584 | 159.4 |
[M+K]+ | 250.04518 | 147.4 |
[M+H-H2O]+ | 194.07928 | 134.6 |
[M+HCOO]- | 256.08022 | 155.1 |
[M+CH3COO]- | 270.09587 | 183.7 |
[M+Na-2H]- | 232.05669 | 144.2 |
[M]+ | 211.08147 | 134.5 |
[M]- | 211.08257 | 134.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.