CID 5238060
68208-25-3
Structural Information
- Molecular Formula
- C9H12ClNO
- SMILES
- C1=CC(=CC(=C1)Cl)C(CCO)N
- InChI
- InChI=1S/C9H12ClNO/c10-8-3-1-2-7(6-8)9(11)4-5-12/h1-3,6,9,12H,4-5,11H2
- InChIKey
- YQMOQQKIRFWPQL-UHFFFAOYSA-N
- Compound name
- 3-amino-3-(3-chlorophenyl)propan-1-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 186.06803 | 137.6 |
[M+Na]+ | 208.04997 | 149.8 |
[M+NH4]+ | 203.09457 | 146.4 |
[M+K]+ | 224.02391 | 143.3 |
[M-H]- | 184.05347 | 139.9 |
[M+Na-2H]- | 206.03542 | 144.1 |
[M]+ | 185.06020 | 140.2 |
[M]- | 185.06130 | 140.2 |