CID 3069521
Brn 4517823
Structural Information
- Molecular Formula
- C13H18N4O2
- SMILES
- CCCCN1CCCC1=NC2=NC=C(C=C2)[N+](=O)[O-]
- InChI
- InChI=1S/C13H18N4O2/c1-2-3-8-16-9-4-5-13(16)15-12-7-6-11(10-14-12)17(18)19/h6-7,10H,2-5,8-9H2,1H3
- InChIKey
- CEVPMCRYESHJEY-UHFFFAOYSA-N
- Compound name
- 1-butyl-N-(5-nitropyridin-2-yl)pyrrolidin-2-imine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 263.15025 | 160.6 |
[M+Na]+ | 285.13219 | 165.5 |
[M-H]- | 261.13569 | 165.5 |
[M+NH4]+ | 280.17679 | 175.6 |
[M+K]+ | 301.10613 | 158.7 |
[M+H-H2O]+ | 245.14023 | 155.7 |
[M+HCOO]- | 307.14117 | 184.3 |
[M+CH3COO]- | 321.15682 | 194.6 |
[M+Na-2H]- | 283.11764 | 165.8 |
[M]+ | 262.14242 | 157.9 |
[M]- | 262.14352 | 157.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.