CID 117614
Succinic acid, bis(2-(2-ethoxybutoxy)ethyl) ester
Structural Information
- Molecular Formula
- C20H38O6
- SMILES
- CCC(CC)COCCOC(=O)CCC(=O)OCCOCC(CC)CC
- InChI
- InChI=1S/C20H38O6/c1-5-17(6-2)15-23-11-13-25-19(21)9-10-20(22)26-14-12-24-16-18(7-3)8-4/h17-18H,5-16H2,1-4H3
- InChIKey
- XKBUCJYNRHGGOM-UHFFFAOYSA-N
- Compound name
- bis[2-(2-ethylbutoxy)ethyl] butanedioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 375.27413 | 198.2 |
[M+Na]+ | 397.25607 | 199.2 |
[M-H]- | 373.25957 | 196.1 |
[M+NH4]+ | 392.30067 | 209.2 |
[M+K]+ | 413.23001 | 199.2 |
[M+H-H2O]+ | 357.26411 | 190.7 |
[M+HCOO]- | 419.26505 | 209.7 |
[M+CH3COO]- | 433.28070 | 220.8 |
[M+Na-2H]- | 395.24152 | 193.3 |
[M]+ | 374.26630 | 209.4 |
[M]- | 374.26740 | 209.4 |