CID 61658
Furfuryl isovalerate
Structural Information
- Molecular Formula
- C10H14O3
- SMILES
- CC(C)CC(=O)OCC1=CC=CO1
- InChI
- InChI=1S/C10H14O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h3-5,8H,6-7H2,1-2H3
- InChIKey
- FKGUIBCHHSHJNQ-UHFFFAOYSA-N
- Compound name
- furan-2-ylmethyl 3-methylbutanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.10158 | 140.0 |
[M+Na]+ | 205.08352 | 150.1 |
[M+NH4]+ | 200.12812 | 147.5 |
[M+K]+ | 221.05746 | 147.5 |
[M-H]- | 181.08702 | 141.6 |
[M+Na-2H]- | 203.06897 | 143.9 |
[M]+ | 182.09375 | 141.7 |
[M]- | 182.09485 | 141.7 |