CID 83797
4-penten-2-one
Structural Information
- Molecular Formula
- C5H8O
- SMILES
- CC(=O)CC=C
- InChI
- InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3
- InChIKey
- PNJWIWWMYCMZRO-UHFFFAOYSA-N
- Compound name
- pent-4-en-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 85.064796 | 113.8 |
[M+Na]+ | 107.04674 | 121.9 |
[M-H]- | 83.050244 | 114.6 |
[M+NH4]+ | 102.09134 | 137.9 |
[M+K]+ | 123.02068 | 121.8 |
[M+H-H2O]+ | 67.054780 | 110.1 |
[M+HCOO]- | 129.05572 | 137.7 |
[M+CH3COO]- | 143.07137 | 165.2 |
[M+Na-2H]- | 105.03219 | 120.5 |
[M]+ | 84.056971 | 114.2 |
[M]- | 84.058069 | 114.2 |