CID 131060417
At47557
Structural Information
- Molecular Formula
- C6H8F3NO3
- SMILES
- C1[C@H](NC[C@@]1(C(F)(F)F)O)C(=O)O
- InChI
- InChI=1S/C6H8F3NO3/c7-6(8,9)5(13)1-3(4(11)12)10-2-5/h3,10,13H,1-2H2,(H,11,12)/t3-,5-/m0/s1
- InChIKey
- MMPKIKNVXAVLQW-UCORVYFPSA-N
- Compound name
- (2S,4S)-4-hydroxy-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 200.05290 | 136.6 |
[M+Na]+ | 222.03484 | 144.1 |
[M-H]- | 198.03834 | 131.0 |
[M+NH4]+ | 217.07944 | 155.9 |
[M+K]+ | 238.00878 | 141.6 |
[M+H-H2O]+ | 182.04288 | 130.5 |
[M+HCOO]- | 244.04382 | 149.2 |
[M+CH3COO]- | 258.05947 | 172.8 |
[M+Na-2H]- | 220.02029 | 139.3 |
[M]+ | 199.04507 | 127.6 |
[M]- | 199.04617 | 127.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.