CID 10931
3-methylbut-2-enoic acid
Structural Information
- Molecular Formula
- C5H8O2
- SMILES
- CC(=CC(=O)O)C
- InChI
- InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7)
- InChIKey
- YYPNJNDODFVZLE-UHFFFAOYSA-N
- Compound name
- 3-methylbut-2-enoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 101.05971 | 118.4 |
[M+Na]+ | 123.04165 | 125.9 |
[M-H]- | 99.045154 | 117.8 |
[M+NH4]+ | 118.08625 | 141.0 |
[M+K]+ | 139.01559 | 125.7 |
[M+H-H2O]+ | 83.049690 | 114.7 |
[M+HCOO]- | 145.05063 | 140.0 |
[M+CH3COO]- | 159.06628 | 164.5 |
[M+Na-2H]- | 121.02710 | 123.1 |
[M]+ | 100.05188 | 117.5 |
[M]- | 100.05298 | 117.6 |