CID 12688821
1-(prop-2-yn-1-yl)azepane
Structural Information
- Molecular Formula
- C9H15N
- SMILES
- C#CCN1CCCCCC1
- InChI
- InChI=1S/C9H15N/c1-2-7-10-8-5-3-4-6-9-10/h1H,3-9H2
- InChIKey
- ZGDDMEFVIIIJBM-UHFFFAOYSA-N
- Compound name
- 1-prop-2-ynylazepane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 138.12773 | 130.7 |
[M+Na]+ | 160.10967 | 139.8 |
[M+NH4]+ | 155.15427 | 135.5 |
[M+K]+ | 176.08361 | 132.2 |
[M-H]- | 136.11317 | 124.9 |
[M+Na-2H]- | 158.09512 | 133.6 |
[M]+ | 137.11990 | 129.6 |
[M]- | 137.12100 | 129.6 |