CID 3085865
2-isobutyl-gamma-valerolactone
Structural Information
- Molecular Formula
- C9H16O2
- SMILES
- C[C@@H]1C[C@H](C(=O)O1)CC(C)C
- InChI
- InChI=1S/C9H16O2/c1-6(2)4-8-5-7(3)11-9(8)10/h6-8H,4-5H2,1-3H3/t7-,8-/m1/s1
- InChIKey
- LOSCWWBVSMNURE-HTQZYQBOSA-N
- Compound name
- (3R,5R)-5-methyl-3-(2-methylpropyl)oxolan-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 157.12232 | 134.2 |
[M+Na]+ | 179.10426 | 141.4 |
[M-H]- | 155.10776 | 138.4 |
[M+NH4]+ | 174.14886 | 156.1 |
[M+K]+ | 195.07820 | 141.9 |
[M+H-H2O]+ | 139.11230 | 129.8 |
[M+HCOO]- | 201.11324 | 155.3 |
[M+CH3COO]- | 215.12889 | 178.4 |
[M+Na-2H]- | 177.08971 | 136.7 |
[M]+ | 156.11449 | 134.9 |
[M]- | 156.11559 | 134.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.