CID 89976263
32585-08-3
Structural Information
- Molecular Formula
- C9H16O2
- SMILES
- CC(C)C/C(=C/C(=O)OC)/C
- InChI
- InChI=1S/C9H16O2/c1-7(2)5-8(3)6-9(10)11-4/h6-7H,5H2,1-4H3/b8-6+
- InChIKey
- NTCOGTNGVBDCEV-SOFGYWHQSA-N
- Compound name
- methyl (E)-3,5-dimethylhex-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 157.12232 | 136.3 |
[M+Na]+ | 179.10426 | 142.4 |
[M-H]- | 155.10776 | 136.5 |
[M+NH4]+ | 174.14886 | 157.5 |
[M+K]+ | 195.07820 | 142.6 |
[M+H-H2O]+ | 139.11230 | 131.7 |
[M+HCOO]- | 201.11324 | 157.1 |
[M+CH3COO]- | 215.12889 | 179.6 |
[M+Na-2H]- | 177.08971 | 138.2 |
[M]+ | 156.11449 | 138.2 |
[M]- | 156.11559 | 138.2 |
Literature stripe
No literature data available for this compound.