CID 21751
Iopydol
Structural Information
- Molecular Formula
- C8H9I2NO3
- SMILES
- C1=C(C(=O)C(=CN1CC(CO)O)I)I
- InChI
- InChI=1S/C8H9I2NO3/c9-6-2-11(1-5(13)4-12)3-7(10)8(6)14/h2-3,5,12-13H,1,4H2
- InChIKey
- TZADDXVKYWMEHX-UHFFFAOYSA-N
- Compound name
- 1-(2,3-dihydroxypropyl)-3,5-diiodopyridin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 421.87448 | 156.4 |
[M+Na]+ | 443.85642 | 150.5 |
[M-H]- | 419.85992 | 145.4 |
[M+NH4]+ | 438.90102 | 162.7 |
[M+K]+ | 459.83036 | 159.8 |
[M+H-H2O]+ | 403.86446 | 144.6 |
[M+HCOO]- | 465.86540 | 165.2 |
[M+CH3COO]- | 479.88105 | 204.1 |
[M+Na-2H]- | 441.84187 | 142.2 |
[M]+ | 420.86665 | 152.1 |
[M]- | 420.86775 | 152.1 |