CID 115450
3-((alpha-carboxy)-p-toluoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane
Structural Information
- Molecular Formula
- C16H20N2O3
- SMILES
- CN1C2CCC1CN(C2)C(=O)C3=CC=C(C=C3)CC(=O)O
- InChI
- InChI=1S/C16H20N2O3/c1-17-13-6-7-14(17)10-18(9-13)16(21)12-4-2-11(3-5-12)8-15(19)20/h2-5,13-14H,6-10H2,1H3,(H,19,20)
- InChIKey
- YWZJREHAYVHVRF-UHFFFAOYSA-N
- Compound name
- 2-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)phenyl]acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 289.15468 | 168.3 |
[M+Na]+ | 311.13662 | 173.6 |
[M-H]- | 287.14012 | 169.7 |
[M+NH4]+ | 306.18122 | 183.6 |
[M+K]+ | 327.11056 | 169.9 |
[M+H-H2O]+ | 271.14466 | 160.6 |
[M+HCOO]- | 333.14560 | 181.3 |
[M+CH3COO]- | 347.16125 | 200.1 |
[M+Na-2H]- | 309.12207 | 167.8 |
[M]+ | 288.14685 | 165.8 |
[M]- | 288.14795 | 165.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.