CID 118240
Hexahydro-3,5,5-trimethyl-1h-azepine
Structural Information
- Molecular Formula
- C9H19N
- SMILES
- CC1CC(CCNC1)(C)C
- InChI
- InChI=1S/C9H19N/c1-8-6-9(2,3)4-5-10-7-8/h8,10H,4-7H2,1-3H3
- InChIKey
- NJRGRJVSEHQKAM-UHFFFAOYSA-N
- Compound name
- 3,5,5-trimethylazepane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 142.15903 | 128.3 |
[M+Na]+ | 164.14097 | 137.2 |
[M+NH4]+ | 159.18557 | 137.6 |
[M+K]+ | 180.11491 | 131.3 |
[M-H]- | 140.14447 | 129.5 |
[M+Na-2H]- | 162.12642 | 134.7 |
[M]+ | 141.15120 | 129.9 |
[M]- | 141.15230 | 129.9 |
Literature stripe
No literature data available for this compound.