CID 156037
72182-46-8
Structural Information
- Molecular Formula
- C17H21NO5
- SMILES
- C[N+]1([C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC)[O-]
- InChI
- InChI=1S/C17H21NO5/c1-18(21)12-8-9-13(18)15(17(20)22-2)14(10-12)23-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+,18?/m0/s1
- InChIKey
- CQWXYUZZXCRUDE-ZDSHMUBLSA-N
- Compound name
- methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octane-2-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 320.14925 | 174.0 |
[M+Na]+ | 342.13119 | 178.8 |
[M-H]- | 318.13469 | 176.8 |
[M+NH4]+ | 337.17579 | 191.0 |
[M+K]+ | 358.10513 | 171.4 |
[M+H-H2O]+ | 302.13923 | 172.0 |
[M+HCOO]- | 364.14017 | 188.6 |
[M+CH3COO]- | 378.15582 | 195.4 |
[M+Na-2H]- | 340.11664 | 176.8 |
[M]+ | 319.14142 | 171.7 |
[M]- | 319.14252 | 171.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.