CID 10773883
149889-64-5
Structural Information
- Molecular Formula
- C9H11NO
- SMILES
- CC(=O)C1=CC=CC(=C1)CN
- InChI
- InChI=1S/C9H11NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,6,10H2,1H3
- InChIKey
- SHKCBAQWXPAPLI-UHFFFAOYSA-N
- Compound name
- 1-[3-(aminomethyl)phenyl]ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 150.09134 | 130.5 |
[M+Na]+ | 172.07328 | 138.0 |
[M-H]- | 148.07678 | 134.0 |
[M+NH4]+ | 167.11788 | 151.4 |
[M+K]+ | 188.04722 | 136.1 |
[M+H-H2O]+ | 132.08132 | 124.9 |
[M+HCOO]- | 194.08226 | 154.9 |
[M+CH3COO]- | 208.09791 | 178.5 |
[M+Na-2H]- | 170.05873 | 136.0 |
[M]+ | 149.08351 | 129.1 |
[M]- | 149.08461 | 129.1 |