CID 23887
Butanedioic acid, 2,2'-oxybis-
Structural Information
- Molecular Formula
- C8H10O9
- SMILES
- C(C(C(=O)O)OC(CC(=O)O)C(=O)O)C(=O)O
- InChI
- InChI=1S/C8H10O9/c9-5(10)1-3(7(13)14)17-4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
- InChIKey
- CFPOJWPDQWJEMO-UHFFFAOYSA-N
- Compound name
- 2-(1,2-dicarboxyethoxy)butanedioic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 251.03977 | 146.9 |
[M+Na]+ | 273.02171 | 150.5 |
[M-H]- | 249.02521 | 141.2 |
[M+NH4]+ | 268.06631 | 159.9 |
[M+K]+ | 288.99565 | 151.9 |
[M+H-H2O]+ | 233.02975 | 141.7 |
[M+HCOO]- | 295.03069 | 160.8 |
[M+CH3COO]- | 309.04634 | 184.8 |
[M+Na-2H]- | 271.00716 | 144.0 |
[M]+ | 250.03194 | 147.7 |
[M]- | 250.03304 | 147.7 |