CID 82593985
1062323-64-1
Structural Information
- Molecular Formula
- C7H9NO2
- SMILES
- CC1=CN=C(O1)CC(=O)C
- InChI
- InChI=1S/C7H9NO2/c1-5(9)3-7-8-4-6(2)10-7/h4H,3H2,1-2H3
- InChIKey
- PARCINOIMWBKPB-UHFFFAOYSA-N
- Compound name
- 1-(5-methyl-1,3-oxazol-2-yl)propan-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 140.07060 | 125.9 |
[M+Na]+ | 162.05254 | 135.1 |
[M-H]- | 138.05604 | 129.3 |
[M+NH4]+ | 157.09714 | 147.0 |
[M+K]+ | 178.02648 | 135.7 |
[M+H-H2O]+ | 122.06058 | 120.3 |
[M+HCOO]- | 184.06152 | 149.3 |
[M+CH3COO]- | 198.07717 | 173.0 |
[M+Na-2H]- | 160.03799 | 131.9 |
[M]+ | 139.06277 | 128.8 |
[M]- | 139.06387 | 128.8 |
Literature stripe
No literature data available for this compound.