CID 182314
3,4-diisopropoxy-3-cyclobutene-1,2-dione
Structural Information
- Molecular Formula
- C10H14O4
- SMILES
- CC(C)OC1=C(C(=O)C1=O)OC(C)C
- InChI
- InChI=1S/C10H14O4/c1-5(2)13-9-7(11)8(12)10(9)14-6(3)4/h5-6H,1-4H3
- InChIKey
- KCZPGGVPQXQGEJ-UHFFFAOYSA-N
- Compound name
- 3,4-di(propan-2-yloxy)cyclobut-3-ene-1,2-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 199.09648 | 139.0 |
[M+Na]+ | 221.07842 | 147.1 |
[M-H]- | 197.08192 | 143.6 |
[M+NH4]+ | 216.12302 | 152.4 |
[M+K]+ | 237.05236 | 150.3 |
[M+H-H2O]+ | 181.08646 | 128.7 |
[M+HCOO]- | 243.08740 | 161.8 |
[M+CH3COO]- | 257.10305 | 191.2 |
[M+Na-2H]- | 219.06387 | 141.1 |
[M]+ | 198.08865 | 154.3 |
[M]- | 198.08975 | 154.3 |