CID 66730005
3,3-diethyloxan-2-one
Structural Information
- Molecular Formula
- C9H16O2
- SMILES
- CCC1(CCCOC1=O)CC
- InChI
- InChI=1S/C9H16O2/c1-3-9(4-2)6-5-7-11-8(9)10/h3-7H2,1-2H3
- InChIKey
- MIZXKJUFFNDUJE-UHFFFAOYSA-N
- Compound name
- 3,3-diethyloxan-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 157.12232 | 132.6 |
[M+Na]+ | 179.10426 | 139.1 |
[M-H]- | 155.10776 | 136.6 |
[M+NH4]+ | 174.14886 | 154.4 |
[M+K]+ | 195.07820 | 139.6 |
[M+H-H2O]+ | 139.11230 | 128.1 |
[M+HCOO]- | 201.11324 | 152.6 |
[M+CH3COO]- | 215.12889 | 176.2 |
[M+Na-2H]- | 177.08971 | 139.5 |
[M]+ | 156.11449 | 131.8 |
[M]- | 156.11559 | 131.8 |