CID 2574890
Dtxsid00660042
Structural Information
- Molecular Formula
- C8H17N3O
- SMILES
- CNCC(=O)N1CCN(CC1)C
- InChI
- InChI=1S/C8H17N3O/c1-9-7-8(12)11-5-3-10(2)4-6-11/h9H,3-7H2,1-2H3
- InChIKey
- CKRGUQFETZTMME-UHFFFAOYSA-N
- Compound name
- 2-(methylamino)-1-(4-methylpiperazin-1-yl)ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 172.14444 | 140.5 |
[M+Na]+ | 194.12638 | 145.4 |
[M-H]- | 170.12988 | 140.5 |
[M+NH4]+ | 189.17098 | 157.8 |
[M+K]+ | 210.10032 | 144.5 |
[M+H-H2O]+ | 154.13442 | 132.9 |
[M+HCOO]- | 216.13536 | 158.8 |
[M+CH3COO]- | 230.15101 | 182.1 |
[M+Na-2H]- | 192.11183 | 144.6 |
[M]+ | 171.13661 | 136.4 |
[M]- | 171.13771 | 136.4 |