CID 15566591
1,1-diethoxy-3-methylbutan-2-one
Structural Information
- Molecular Formula
- C9H18O3
- SMILES
- CCOC(C(=O)C(C)C)OCC
- InChI
- InChI=1S/C9H18O3/c1-5-11-9(12-6-2)8(10)7(3)4/h7,9H,5-6H2,1-4H3
- InChIKey
- VAQNGLMBLFXFOT-UHFFFAOYSA-N
- Compound name
- 1,1-diethoxy-3-methylbutan-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 175.13288 | 140.8 |
[M+Na]+ | 197.11482 | 146.4 |
[M-H]- | 173.11832 | 140.8 |
[M+NH4]+ | 192.15942 | 161.0 |
[M+K]+ | 213.08876 | 147.6 |
[M+H-H2O]+ | 157.12286 | 135.8 |
[M+HCOO]- | 219.12380 | 161.6 |
[M+CH3COO]- | 233.13945 | 183.8 |
[M+Na-2H]- | 195.10027 | 142.6 |
[M]+ | 174.12505 | 145.0 |
[M]- | 174.12615 | 145.0 |