CID 24047
2-(4-nitrophenyl)butyric acid
Structural Information
- Molecular Formula
- C10H11NO4
- SMILES
- CCC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O
- InChI
- InChI=1S/C10H11NO4/c1-2-9(10(12)13)7-3-5-8(6-4-7)11(14)15/h3-6,9H,2H2,1H3,(H,12,13)
- InChIKey
- XBGNOMBPRQVJSR-UHFFFAOYSA-N
- Compound name
- 2-(4-nitrophenyl)butanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 210.07608 | 142.6 |
[M+Na]+ | 232.05802 | 154.2 |
[M+NH4]+ | 227.10262 | 149.5 |
[M+K]+ | 248.03196 | 152.5 |
[M-H]- | 208.06152 | 144.3 |
[M+Na-2H]- | 230.04347 | 147.4 |
[M]+ | 209.06825 | 144.4 |
[M]- | 209.06935 | 144.4 |