CID 4581
Octopamine
Structural Information
- Molecular Formula
- C8H11NO2
- SMILES
- C1=CC(=CC=C1C(CN)O)O
- InChI
- InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2
- InChIKey
- QHGUCRYDKWKLMG-UHFFFAOYSA-N
- Compound name
- 4-(2-amino-1-hydroxyethyl)phenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 154.08626 | 131.1 |
[M+Na]+ | 176.06820 | 141.7 |
[M+NH4]+ | 171.11280 | 138.9 |
[M+K]+ | 192.04214 | 137.2 |
[M-H]- | 152.07170 | 132.4 |
[M+Na-2H]- | 174.05365 | 136.6 |
[M]+ | 153.07843 | 132.7 |
[M]- | 153.07953 | 132.7 |