CID 54220219
Methyl 2-ethyl-5-nitrobenzoate
Structural Information
- Molecular Formula
- C10H11NO4
- SMILES
- CCC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC
- InChI
- InChI=1S/C10H11NO4/c1-3-7-4-5-8(11(13)14)6-9(7)10(12)15-2/h4-6H,3H2,1-2H3
- InChIKey
- QCBAWUWFMSIGNL-UHFFFAOYSA-N
- Compound name
- methyl 2-ethyl-5-nitrobenzoate
- 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 | 155.4 |
[M+NH4]+ | 227.10262 | 149.8 |
[M+K]+ | 248.03196 | 152.7 |
[M-H]- | 208.06152 | 144.9 |
[M+Na-2H]- | 230.04347 | 148.0 |
[M]+ | 209.06825 | 144.8 |
[M]- | 209.06935 | 144.8 |
Literature stripe
No literature data available for this compound.