CID 156288
4-oxononanal
Structural Information
- Molecular Formula
- C9H16O2
- SMILES
- CCCCCC(=O)CCC=O
- InChI
- InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h8H,2-7H2,1H3
- InChIKey
- MGOKSQNXXRPCMD-UHFFFAOYSA-N
- Compound name
- 4-oxononanal
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 157.12232 | 135.8 |
[M+Na]+ | 179.10426 | 142.2 |
[M-H]- | 155.10776 | 135.7 |
[M+NH4]+ | 174.14886 | 156.9 |
[M+K]+ | 195.07820 | 141.4 |
[M+H-H2O]+ | 139.11230 | 131.0 |
[M+HCOO]- | 201.11324 | 158.6 |
[M+CH3COO]- | 215.12889 | 179.3 |
[M+Na-2H]- | 177.08971 | 140.2 |
[M]+ | 156.11449 | 139.2 |
[M]- | 156.11559 | 139.2 |