CID 78220
4-hydroxy-3-methoxyphenylacetonitrile
Structural Information
- Molecular Formula
- C9H9NO2
- SMILES
- COC1=C(C=CC(=C1)CC#N)O
- InChI
- InChI=1S/C9H9NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4H2,1H3
- InChIKey
- SDVYWMWQCJEYTC-UHFFFAOYSA-N
- Compound name
- 2-(4-hydroxy-3-methoxyphenyl)acetonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 164.07060 | 132.8 |
[M+Na]+ | 186.05254 | 143.6 |
[M-H]- | 162.05604 | 135.5 |
[M+NH4]+ | 181.09714 | 151.3 |
[M+K]+ | 202.02648 | 140.9 |
[M+H-H2O]+ | 146.06058 | 121.2 |
[M+HCOO]- | 208.06152 | 152.8 |
[M+CH3COO]- | 222.07717 | 189.0 |
[M+Na-2H]- | 184.03799 | 138.8 |
[M]+ | 163.06277 | 129.3 |
[M]- | 163.06387 | 129.3 |