CID 21452
39464-69-2
Structural Information
- Molecular Formula
- C20H40O2
- SMILES
- CCCCCCCCC=CCCCCCCCCOCCO
- InChI
- InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h9-10,21H,2-8,11-20H2,1H3
- InChIKey
- KWVPFECTOKLOBL-UHFFFAOYSA-N
- Compound name
- 2-octadec-9-enoxyethanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 313.31011 | 187.4 |
[M+Na]+ | 335.29205 | 188.7 |
[M-H]- | 311.29555 | 183.6 |
[M+NH4]+ | 330.33665 | 201.6 |
[M+K]+ | 351.26599 | 184.2 |
[M+H-H2O]+ | 295.30009 | 180.3 |
[M+HCOO]- | 357.30103 | 205.7 |
[M+CH3COO]- | 371.31668 | 209.0 |
[M+Na-2H]- | 333.27750 | 186.5 |
[M]+ | 312.30228 | 194.2 |
[M]- | 312.30338 | 194.2 |