CID 219464
Diethyl heptylmalonate
Structural Information
- Molecular Formula
- C14H26O4
- SMILES
- CCCCCCCC(C(=O)OCC)C(=O)OCC
- InChI
- InChI=1S/C14H26O4/c1-4-7-8-9-10-11-12(13(15)17-5-2)14(16)18-6-3/h12H,4-11H2,1-3H3
- InChIKey
- HIJIXCXMVYTMCY-UHFFFAOYSA-N
- Compound name
- diethyl 2-heptylpropanedioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 259.19038 | 165.7 |
[M+Na]+ | 281.17232 | 169.6 |
[M-H]- | 257.17582 | 164.8 |
[M+NH4]+ | 276.21692 | 182.6 |
[M+K]+ | 297.14626 | 169.4 |
[M+H-H2O]+ | 241.18036 | 159.6 |
[M+HCOO]- | 303.18130 | 185.3 |
[M+CH3COO]- | 317.19695 | 198.5 |
[M+Na-2H]- | 279.15777 | 164.9 |
[M]+ | 258.18255 | 172.4 |
[M]- | 258.18365 | 172.4 |
Literature stripe
No literature data available for this compound.