CID 4913029
1,1-diethoxy-2-nitroethane
Structural Information
- Molecular Formula
- C6H13NO4
- SMILES
- CCOC(C[N+](=O)[O-])OCC
- InChI
- InChI=1S/C6H13NO4/c1-3-10-6(11-4-2)5-7(8)9/h6H,3-5H2,1-2H3
- InChIKey
- MDYWSMNYPFOQOU-UHFFFAOYSA-N
- Compound name
- 1,1-diethoxy-2-nitroethane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 164.09174 | 134.6 |
[M+Na]+ | 186.07368 | 140.8 |
[M-H]- | 162.07718 | 134.9 |
[M+NH4]+ | 181.11828 | 154.6 |
[M+K]+ | 202.04762 | 138.1 |
[M+H-H2O]+ | 146.08172 | 134.3 |
[M+HCOO]- | 208.08266 | 159.2 |
[M+CH3COO]- | 222.09831 | 173.2 |
[M+Na-2H]- | 184.05913 | 141.2 |
[M]+ | 163.08391 | 137.0 |
[M]- | 163.08501 | 137.0 |
Literature stripe
No literature data available for this compound.