CID 121207368
4-ethynylpyrrolidin-2-one
Structural Information
- Molecular Formula
- C6H7NO
- SMILES
- C#CC1CC(=O)NC1
- InChI
- InChI=1S/C6H7NO/c1-2-5-3-6(8)7-4-5/h1,5H,3-4H2,(H,7,8)
- InChIKey
- VPFWRGMDQQGKOC-UHFFFAOYSA-N
- Compound name
- 4-ethynylpyrrolidin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 110.06004 | 122.7 |
[M+Na]+ | 132.04198 | 132.7 |
[M+NH4]+ | 127.08659 | 127.3 |
[M+K]+ | 148.01592 | 126.1 |
[M-H]- | 108.04549 | 114.8 |
[M+Na-2H]- | 130.02743 | 124.0 |
[M]+ | 109.05222 | 120.8 |
[M]- | 109.05331 | 120.8 |
Literature stripe
No literature data available for this compound.