CID 59443763
Methyl 3-(cyclopropylmethoxy)-4-nitrobenzoate
Structural Information
- Molecular Formula
- C12H13NO5
- SMILES
- COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])OCC2CC2
- InChI
- InChI=1S/C12H13NO5/c1-17-12(14)9-4-5-10(13(15)16)11(6-9)18-7-8-2-3-8/h4-6,8H,2-3,7H2,1H3
- InChIKey
- XJAGTAYJYBVTIH-UHFFFAOYSA-N
- Compound name
- methyl 3-(cyclopropylmethoxy)-4-nitrobenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 252.08666 | 149.0 |
[M+Na]+ | 274.06860 | 157.2 |
[M-H]- | 250.07210 | 156.7 |
[M+NH4]+ | 269.11320 | 160.7 |
[M+K]+ | 290.04254 | 150.9 |
[M+H-H2O]+ | 234.07664 | 146.6 |
[M+HCOO]- | 296.07758 | 173.8 |
[M+CH3COO]- | 310.09323 | 190.8 |
[M+Na-2H]- | 272.05405 | 154.9 |
[M]+ | 251.07883 | 153.3 |
[M]- | 251.07993 | 153.3 |
Literature stripe
No literature data available for this compound.