CID 14048405
4-hydroxynonanal
Structural Information
- Molecular Formula
- C9H18O2
- SMILES
- CCCCCC(CCC=O)O
- InChI
- InChI=1S/C9H18O2/c1-2-3-4-6-9(11)7-5-8-10/h8-9,11H,2-7H2,1H3
- InChIKey
- JKDRLGCUTJVKCE-UHFFFAOYSA-N
- Compound name
- 4-hydroxynonanal
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 159.13796 | 138.4 |
[M+Na]+ | 181.11990 | 144.0 |
[M-H]- | 157.12340 | 136.8 |
[M+NH4]+ | 176.16450 | 158.7 |
[M+K]+ | 197.09384 | 142.9 |
[M+H-H2O]+ | 141.12794 | 133.6 |
[M+HCOO]- | 203.12888 | 159.4 |
[M+CH3COO]- | 217.14453 | 177.4 |
[M+Na-2H]- | 179.10535 | 142.1 |
[M]+ | 158.13013 | 140.5 |
[M]- | 158.13123 | 140.5 |