CID 13261
O-nitrophenethyl acetate
Structural Information
- Molecular Formula
- C10H11NO4
- SMILES
- CC(=O)OCCC1=CC=CC=C1[N+](=O)[O-]
- InChI
- InChI=1S/C10H11NO4/c1-8(12)15-7-6-9-4-2-3-5-10(9)11(13)14/h2-5H,6-7H2,1H3
- InChIKey
- JTDNAYJQWWTNDA-UHFFFAOYSA-N
- Compound name
- 2-(2-nitrophenyl)ethyl acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 210.07608 | 142.7 |
[M+Na]+ | 232.05802 | 155.2 |
[M+NH4]+ | 227.10262 | 150.1 |
[M+K]+ | 248.03196 | 152.4 |
[M-H]- | 208.06152 | 145.1 |
[M+Na-2H]- | 230.04347 | 148.4 |
[M]+ | 209.06825 | 144.9 |
[M]- | 209.06935 | 144.9 |
Literature stripe
No literature data available for this compound.