CID 11716
3-buten-2-ol
Structural Information
- Molecular Formula
- C4H8O
- SMILES
- CC(C=C)O
- InChI
- InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3
- InChIKey
- MKUWVMRNQOOSAT-UHFFFAOYSA-N
- Compound name
- but-3-en-2-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 73.064796 | 112.0 |
[M+Na]+ | 95.046738 | 119.7 |
[M-H]- | 71.050244 | 111.4 |
[M+NH4]+ | 90.091343 | 135.8 |
[M+K]+ | 111.02068 | 119.5 |
[M+H-H2O]+ | 55.054780 | 108.5 |
[M+HCOO]- | 117.05572 | 134.4 |
[M+CH3COO]- | 131.07137 | 160.3 |
[M+Na-2H]- | 93.032186 | 118.5 |
[M]+ | 72.056971 | 110.7 |
[M]- | 72.058069 | 110.7 |