CID 11142379
13481-97-5
Structural Information
- Molecular Formula
- C20H36O4
- SMILES
- COC(=O)CCCCCCC/C=C/CCCCCCCC(=O)OC
- InChI
- InChI=1S/C20H36O4/c1-23-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)24-2/h3-4H,5-18H2,1-2H3/b4-3+
- InChIKey
- HGGLIXDRUINGBB-ONEGZZNKSA-N
- Compound name
- dimethyl (E)-octadec-9-enedioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 341.26863 | 191.3 |
[M+Na]+ | 363.25057 | 193.2 |
[M-H]- | 339.25407 | 189.2 |
[M+NH4]+ | 358.29517 | 204.9 |
[M+K]+ | 379.22451 | 190.4 |
[M+H-H2O]+ | 323.25861 | 184.0 |
[M+HCOO]- | 385.25955 | 210.1 |
[M+CH3COO]- | 399.27520 | 213.9 |
[M+Na-2H]- | 361.23602 | 188.6 |
[M]+ | 340.26080 | 200.1 |
[M]- | 340.26190 | 200.1 |