CID 137965579
2167963-64-4
Structural Information
- Molecular Formula
- C16H22N2
- SMILES
- C1CC23CNCC2(C1)CN(C3)CC4=CC=CC=C4
- InChI
- InChI=1S/C16H22N2/c1-2-5-14(6-3-1)9-18-12-15-7-4-8-16(15,13-18)11-17-10-15/h1-3,5-6,17H,4,7-13H2
- InChIKey
- YGZQMQLLYOJBSF-UHFFFAOYSA-N
- Compound name
- 3-benzyl-3,7-diazatricyclo[3.3.3.01,5]undecane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 243.18558 | 160.0 |
[M+Na]+ | 265.16752 | 165.4 |
[M-H]- | 241.17102 | 165.6 |
[M+NH4]+ | 260.21212 | 183.5 |
[M+K]+ | 281.14146 | 160.6 |
[M+H-H2O]+ | 225.17556 | 151.4 |
[M+HCOO]- | 287.17650 | 177.0 |
[M+CH3COO]- | 301.19215 | 170.7 |
[M+Na-2H]- | 263.15297 | 159.9 |
[M]+ | 242.17775 | 153.2 |
[M]- | 242.17885 | 153.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.