CID 58312677
1073263-80-5
Structural Information
- Molecular Formula
- C17H19FN2
- SMILES
- C1[C@H]([C@@H](CN1CC2=CC=CC=C2)N)C3=CC=C(C=C3)F
- InChI
- InChI=1S/C17H19FN2/c18-15-8-6-14(7-9-15)16-11-20(12-17(16)19)10-13-4-2-1-3-5-13/h1-9,16-17H,10-12,19H2/t16-,17+/m0/s1
- InChIKey
- XWQQHNDVAHVAEZ-DLBZAZTESA-N
- Compound name
- (3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 271.16051 | 162.5 |
[M+Na]+ | 293.14245 | 169.1 |
[M-H]- | 269.14595 | 168.9 |
[M+NH4]+ | 288.18705 | 178.5 |
[M+K]+ | 309.11639 | 163.1 |
[M+H-H2O]+ | 253.15049 | 152.7 |
[M+HCOO]- | 315.15143 | 183.2 |
[M+CH3COO]- | 329.16708 | 173.5 |
[M+Na-2H]- | 291.12790 | 163.4 |
[M]+ | 270.15268 | 157.0 |
[M]- | 270.15378 | 157.0 |
Literature stripe
No literature data available for this compound.