CID 3085894
Heptenal dimethyl acetal
Structural Information
- Molecular Formula
- C9H16O2
- SMILES
- COC1(CCCC=CC1)OC
- InChI
- InChI=1S/C9H16O2/c1-10-9(11-2)7-5-3-4-6-8-9/h3,5H,4,6-8H2,1-2H3
- InChIKey
- HENLVMSJPQNNOB-UHFFFAOYSA-N
- Compound name
- 4,4-dimethoxycycloheptene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 157.12232 | 128.7 |
[M+Na]+ | 179.10426 | 132.9 |
[M-H]- | 155.10776 | 133.0 |
[M+NH4]+ | 174.14886 | 149.9 |
[M+K]+ | 195.07820 | 136.6 |
[M+H-H2O]+ | 139.11230 | 124.4 |
[M+HCOO]- | 201.11324 | 149.9 |
[M+CH3COO]- | 215.12889 | 177.9 |
[M+Na-2H]- | 177.08971 | 135.7 |
[M]+ | 156.11449 | 125.7 |
[M]- | 156.11559 | 125.7 |
Literature stripe
No literature data available for this compound.