CID 10725569
5-pentyl-3h-furan-2-one
Structural Information
- Molecular Formula
- C9H14O2
- SMILES
- CCCCCC1=CCC(=O)O1
- InChI
- InChI=1S/C9H14O2/c1-2-3-4-5-8-6-7-9(10)11-8/h6H,2-5,7H2,1H3
- InChIKey
- PGAMJXWVUGDLRA-UHFFFAOYSA-N
- Compound name
- 5-pentyl-3H-furan-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 155.10666 | 132.6 |
[M+Na]+ | 177.08860 | 140.1 |
[M-H]- | 153.09210 | 136.6 |
[M+NH4]+ | 172.13320 | 154.4 |
[M+K]+ | 193.06254 | 140.0 |
[M+H-H2O]+ | 137.09664 | 127.7 |
[M+HCOO]- | 199.09758 | 156.1 |
[M+CH3COO]- | 213.11323 | 176.0 |
[M+Na-2H]- | 175.07405 | 137.9 |
[M]+ | 154.09883 | 134.9 |
[M]- | 154.09993 | 134.9 |