CID 21492261
1263282-12-7
Structural Information
- Molecular Formula
- C6H11N
- SMILES
- C1CNCCC=C1
- InChI
- InChI=1S/C6H11N/c1-2-4-6-7-5-3-1/h1-2,7H,3-6H2
- InChIKey
- SMOHMDMTVAYPAI-UHFFFAOYSA-N
- Compound name
- 2,3,6,7-tetrahydro-1H-azepine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 98.096426 | 116.4 |
[M+Na]+ | 120.07837 | 125.9 |
[M+NH4]+ | 115.12297 | 124.8 |
[M+K]+ | 136.05231 | 121.5 |
[M-H]- | 96.081874 | 117.8 |
[M+Na-2H]- | 118.06382 | 123.3 |
[M]+ | 97.088601 | 118.0 |
[M]- | 97.089699 | 118.0 |