CID 92981
1-pentyn-3-ol
Structural Information
- Molecular Formula
- C5H8O
- SMILES
- CCC(C#C)O
- InChI
- InChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3
- InChIKey
- LBSKEFWQPNVWTP-UHFFFAOYSA-N
- Compound name
- pent-1-yn-3-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 85.064796 | 115.2 |
[M+Na]+ | 107.04674 | 124.7 |
[M-H]- | 83.050244 | 114.2 |
[M+NH4]+ | 102.09134 | 136.1 |
[M+K]+ | 123.02068 | 123.6 |
[M+H-H2O]+ | 67.054780 | 105.6 |
[M+HCOO]- | 129.05572 | 131.8 |
[M+CH3COO]- | 143.07137 | 172.8 |
[M+Na-2H]- | 105.03219 | 120.7 |
[M]+ | 84.056971 | 109.4 |
[M]- | 84.058069 | 109.4 |