CID 79711
4-(4-nitrophenyl)butyric acid
Structural Information
- Molecular Formula
- C10H11NO4
- SMILES
- C1=CC(=CC=C1CCCC(=O)O)[N+](=O)[O-]
- InChI
- InChI=1S/C10H11NO4/c12-10(13)3-1-2-8-4-6-9(7-5-8)11(14)15/h4-7H,1-3H2,(H,12,13)
- InChIKey
- WQMLUHZFRFCQDB-UHFFFAOYSA-N
- Compound name
- 4-(4-nitrophenyl)butanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 210.07608 | 142.9 |
[M+Na]+ | 232.05802 | 154.8 |
[M+NH4]+ | 227.10262 | 149.8 |
[M+K]+ | 248.03196 | 152.3 |
[M-H]- | 208.06152 | 144.7 |
[M+Na-2H]- | 230.04347 | 148.0 |
[M]+ | 209.06825 | 144.8 |
[M]- | 209.06935 | 144.8 |