CID 16767777
1-(piperidin-4-ylmethyl)azepane
Structural Information
- Molecular Formula
- C12H24N2
- SMILES
- C1CCCN(CC1)CC2CCNCC2
- InChI
- InChI=1S/C12H24N2/c1-2-4-10-14(9-3-1)11-12-5-7-13-8-6-12/h12-13H,1-11H2
- InChIKey
- YORDNMDWCQULON-UHFFFAOYSA-N
- Compound name
- 1-(piperidin-4-ylmethyl)azepane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 197.20123 | 146.8 |
[M+Na]+ | 219.18317 | 146.2 |
[M-H]- | 195.18667 | 147.9 |
[M+NH4]+ | 214.22777 | 160.5 |
[M+K]+ | 235.15711 | 146.9 |
[M+H-H2O]+ | 179.19121 | 137.7 |
[M+HCOO]- | 241.19215 | 158.6 |
[M+CH3COO]- | 255.20780 | 154.8 |
[M+Na-2H]- | 217.16862 | 148.9 |
[M]+ | 196.19340 | 133.1 |
[M]- | 196.19450 | 133.1 |
Literature stripe
No literature data available for this compound.