CID 113099
63149-33-7
Structural Information
- Molecular Formula
- C13H15NO2
- SMILES
- C1CC2=CC(=C(C3=C2N(C1)CCC3)O)C=O
- InChI
- InChI=1S/C13H15NO2/c15-8-10-7-9-3-1-5-14-6-2-4-11(12(9)14)13(10)16/h7-8,16H,1-6H2
- InChIKey
- NRZXBDYODHLZBF-UHFFFAOYSA-N
- Compound name
- 6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 218.11756 | 147.3 |
[M+Na]+ | 240.09950 | 154.1 |
[M-H]- | 216.10300 | 148.6 |
[M+NH4]+ | 235.14410 | 166.2 |
[M+K]+ | 256.07344 | 150.1 |
[M+H-H2O]+ | 200.10754 | 140.3 |
[M+HCOO]- | 262.10848 | 162.2 |
[M+CH3COO]- | 276.12413 | 158.5 |
[M+Na-2H]- | 238.08495 | 153.6 |
[M]+ | 217.10973 | 144.2 |
[M]- | 217.11083 | 144.2 |