CID 349972
3,3-dimethyl-2-oxobutanal
Structural Information
- Molecular Formula
- C6H10O2
- SMILES
- CC(C)(C)C(=O)C=O
- InChI
- InChI=1S/C6H10O2/c1-6(2,3)5(8)4-7/h4H,1-3H3
- InChIKey
- ASONUAQLGIPYMA-UHFFFAOYSA-N
- Compound name
- 3,3-dimethyl-2-oxobutanal
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 115.07536 | 121.0 |
[M+Na]+ | 137.05730 | 129.2 |
[M-H]- | 113.06080 | 121.9 |
[M+NH4]+ | 132.10190 | 144.0 |
[M+K]+ | 153.03124 | 129.6 |
[M+H-H2O]+ | 97.065340 | 117.6 |
[M+HCOO]- | 159.06628 | 143.2 |
[M+CH3COO]- | 173.08193 | 169.7 |
[M+Na-2H]- | 135.04275 | 127.8 |
[M]+ | 114.06753 | 122.7 |
[M]- | 114.06863 | 122.7 |