CID 564962
Einecs 228-566-6
Structural Information
- Molecular Formula
- C5H6N2
- SMILES
- C1=CC=[N+](C=C1)[NH-]
- InChI
- InChI=1S/C5H6N2/c6-7-4-2-1-3-5-7/h1-6H
- InChIKey
- LWBPCECUDKEKAD-UHFFFAOYSA-N
- Compound name
- pyridin-1-ium-1-ylazanide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 95.060376 | 113.3 |
[M+Na]+ | 117.04232 | 121.0 |
[M-H]- | 93.045824 | 114.5 |
[M+NH4]+ | 112.08692 | 134.2 |
[M+K]+ | 133.01626 | 114.6 |
[M+H-H2O]+ | 77.050360 | 112.5 |
[M+HCOO]- | 139.05130 | 138.0 |
[M+CH3COO]- | 153.06695 | 156.9 |
[M+Na-2H]- | 115.02777 | 125.3 |
[M]+ | 94.052551 | 107.9 |
[M]- | 94.053649 | 107.9 |