CID 95886
Dimethyl 4-aminophthalate
Structural Information
- Molecular Formula
- C10H11NO4
- SMILES
- COC(=O)C1=C(C=C(C=C1)N)C(=O)OC
- InChI
- InChI=1S/C10H11NO4/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5H,11H2,1-2H3
- InChIKey
- NTBHQNDXAJXRPU-UHFFFAOYSA-N
- Compound name
- dimethyl 4-aminobenzene-1,2-dicarboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 210.07608 | 143.9 |
[M+Na]+ | 232.05802 | 154.3 |
[M+NH4]+ | 227.10262 | 150.2 |
[M+K]+ | 248.03196 | 150.6 |
[M-H]- | 208.06152 | 144.4 |
[M+Na-2H]- | 230.04347 | 148.3 |
[M]+ | 209.06825 | 145.1 |
[M]- | 209.06935 | 145.1 |