CID 15564184
4-chloro-4-methylpentan-2-one
Structural Information
- Molecular Formula
- C6H11ClO
- SMILES
- CC(=O)CC(C)(C)Cl
- InChI
- InChI=1S/C6H11ClO/c1-5(8)4-6(2,3)7/h4H2,1-3H3
- InChIKey
- JMNYJOWPUIPWJD-UHFFFAOYSA-N
- Compound name
- 4-chloro-4-methylpentan-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 135.05712 | 125.1 |
[M+Na]+ | 157.03906 | 133.8 |
[M-H]- | 133.04256 | 125.9 |
[M+NH4]+ | 152.08366 | 148.2 |
[M+K]+ | 173.01300 | 132.1 |
[M+H-H2O]+ | 117.04710 | 122.6 |
[M+HCOO]- | 179.04804 | 142.4 |
[M+CH3COO]- | 193.06369 | 173.3 |
[M+Na-2H]- | 155.02451 | 131.4 |
[M]+ | 134.04929 | 127.9 |
[M]- | 134.05039 | 127.9 |