CID 8167077
2,4,6-trimethyl-3-nitrobenzoic acid
Structural Information
- Molecular Formula
- C10H11NO4
- SMILES
- CC1=CC(=C(C(=C1C(=O)O)C)[N+](=O)[O-])C
- InChI
- InChI=1S/C10H11NO4/c1-5-4-6(2)9(11(14)15)7(3)8(5)10(12)13/h4H,1-3H3,(H,12,13)
- InChIKey
- MNCAEAPELOWRRK-UHFFFAOYSA-N
- Compound name
- 2,4,6-trimethyl-3-nitrobenzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 210.07608 | 142.5 |
[M+Na]+ | 232.05802 | 155.5 |
[M+NH4]+ | 227.10262 | 149.4 |
[M+K]+ | 248.03196 | 153.6 |
[M-H]- | 208.06152 | 144.5 |
[M+Na-2H]- | 230.04347 | 146.9 |
[M]+ | 209.06825 | 144.7 |
[M]- | 209.06935 | 144.7 |
Literature stripe
No literature data available for this compound.