CID 151247
87745-27-5
Structural Information
- Molecular Formula
- C9H13NO2
- SMILES
- C1=CC(=CC=C1C[C@@H](CO)N)O
- InChI
- InChI=1S/C9H13NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,8,11-12H,5-6,10H2/t8-/m0/s1
- InChIKey
- DBLDQZASZZMNSL-QMMMGPOBSA-N
- Compound name
- 4-[(2S)-2-amino-3-hydroxypropyl]phenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 168.10192 | 136.1 |
[M+Na]+ | 190.08386 | 142.4 |
[M-H]- | 166.08736 | 136.6 |
[M+NH4]+ | 185.12846 | 154.7 |
[M+K]+ | 206.05780 | 139.7 |
[M+H-H2O]+ | 150.09190 | 130.5 |
[M+HCOO]- | 212.09284 | 157.4 |
[M+CH3COO]- | 226.10849 | 176.5 |
[M+Na-2H]- | 188.06931 | 140.4 |
[M]+ | 167.09409 | 133.0 |
[M]- | 167.09519 | 133.0 |