CID 29317
Bs-35
Structural Information
- Molecular Formula
- C17H19NO3
- SMILES
- CC(C(C1=CC=CC=C1)O)NCC2=CC3=C(C=C2)OCO3
- InChI
- InChI=1S/C17H19NO3/c1-12(17(19)14-5-3-2-4-6-14)18-10-13-7-8-15-16(9-13)21-11-20-15/h2-9,12,17-19H,10-11H2,1H3
- InChIKey
- UZEJFZYIMRGMJP-UHFFFAOYSA-N
- Compound name
- 2-(1,3-benzodioxol-5-ylmethylamino)-1-phenylpropan-1-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 286.14378 | 167.1 |
[M+Na]+ | 308.12572 | 178.6 |
[M+NH4]+ | 303.17032 | 175.1 |
[M+K]+ | 324.09966 | 174.8 |
[M-H]- | 284.12922 | 173.6 |
[M+Na-2H]- | 306.11117 | 172.3 |
[M]+ | 285.13595 | 170.5 |
[M]- | 285.13705 | 170.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.