CID 19964977
4-(propan-2-yl)azepane
Structural Information
- Molecular Formula
- C9H19N
- SMILES
- CC(C)C1CCCNCC1
- InChI
- InChI=1S/C9H19N/c1-8(2)9-4-3-6-10-7-5-9/h8-10H,3-7H2,1-2H3
- InChIKey
- PERQRFSWSFUTEO-UHFFFAOYSA-N
- Compound name
- 4-propan-2-ylazepane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 142.15903 | 130.4 |
[M+Na]+ | 164.14097 | 138.5 |
[M+NH4]+ | 159.18557 | 138.2 |
[M+K]+ | 180.11491 | 134.5 |
[M-H]- | 140.14447 | 131.4 |
[M+Na-2H]- | 162.12642 | 135.1 |
[M]+ | 141.15120 | 131.6 |
[M]- | 141.15230 | 131.6 |
Literature stripe
No literature data available for this compound.