CID 22297
Isometheptene
Structural Information
- Molecular Formula
- C9H19N
- SMILES
- CC(CCC=C(C)C)NC
- InChI
- InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3
- InChIKey
- XVQUOJBERHHONY-UHFFFAOYSA-N
- Compound name
- N,6-dimethylhept-5-en-2-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 142.15903 | 135.8 |
[M+Na]+ | 164.14097 | 144.9 |
[M+NH4]+ | 159.18557 | 143.7 |
[M+K]+ | 180.11491 | 139.1 |
[M-H]- | 140.14447 | 136.0 |
[M+Na-2H]- | 162.12642 | 139.0 |
[M]+ | 141.15120 | 136.9 |
[M]- | 141.15230 | 136.9 |