CID 165950150
Rac-(3ar,7ar)-2-benzyl-7,7-difluoro-octahydro-1h-pyrrolo[3,4-c]pyridine
Structural Information
- Molecular Formula
- C14H18F2N2
- SMILES
- C1[C@@H]2CN(C[C@@H]2C(CN1)(F)F)CC3=CC=CC=C3
- InChI
- InChI=1S/C14H18F2N2/c15-14(16)10-17-6-12-8-18(9-13(12)14)7-11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2/t12-,13+/m1/s1
- InChIKey
- DEDBJHFEBSFVDT-OLZOCXBDSA-N
- Compound name
- (3aR,7aR)-2-benzyl-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 253.15108 | 157.9 |
[M+Na]+ | 275.13302 | 164.4 |
[M-H]- | 251.13652 | 157.9 |
[M+NH4]+ | 270.17762 | 176.1 |
[M+K]+ | 291.10696 | 158.7 |
[M+H-H2O]+ | 235.14106 | 147.8 |
[M+HCOO]- | 297.14200 | 170.9 |
[M+CH3COO]- | 311.15765 | 167.5 |
[M+Na-2H]- | 273.11847 | 159.8 |
[M]+ | 252.14325 | 148.8 |
[M]- | 252.14435 | 148.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.