CID 61688033
4-(but-3-yn-1-yl)piperazin-2-one
Structural Information
- Molecular Formula
- C8H12N2O
- SMILES
- C#CCCN1CCNC(=O)C1
- InChI
- InChI=1S/C8H12N2O/c1-2-3-5-10-6-4-9-8(11)7-10/h1H,3-7H2,(H,9,11)
- InChIKey
- RBRVRBGKCNOUTF-UHFFFAOYSA-N
- Compound name
- 4-but-3-ynylpiperazin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 153.10224 | 136.3 |
[M+Na]+ | 175.08418 | 146.7 |
[M+NH4]+ | 170.12878 | 140.0 |
[M+K]+ | 191.05812 | 137.9 |
[M-H]- | 151.08768 | 128.3 |
[M+Na-2H]- | 173.06963 | 137.4 |
[M]+ | 152.09441 | 134.4 |
[M]- | 152.09551 | 134.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.