CID 12318722
Ethyl 4-(dimethylamino)-3-nitrobenzoate
Structural Information
- Molecular Formula
- C11H14N2O4
- SMILES
- CCOC(=O)C1=CC(=C(C=C1)N(C)C)[N+](=O)[O-]
- InChI
- InChI=1S/C11H14N2O4/c1-4-17-11(14)8-5-6-9(12(2)3)10(7-8)13(15)16/h5-7H,4H2,1-3H3
- InChIKey
- JBHSGKIODKUQDV-UHFFFAOYSA-N
- Compound name
- ethyl 4-(dimethylamino)-3-nitrobenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 239.10263 | 150.7 |
[M+Na]+ | 261.08457 | 157.1 |
[M-H]- | 237.08807 | 156.0 |
[M+NH4]+ | 256.12917 | 168.0 |
[M+K]+ | 277.05851 | 153.3 |
[M+H-H2O]+ | 221.09261 | 148.6 |
[M+HCOO]- | 283.09355 | 176.9 |
[M+CH3COO]- | 297.10920 | 192.4 |
[M+Na-2H]- | 259.07002 | 155.9 |
[M]+ | 238.09480 | 152.8 |
[M]- | 238.09590 | 152.8 |
Literature stripe
No literature data available for this compound.