CID 262558
N-(2,4-dinitrophenyl)-dl-threonine
Structural Information
- Molecular Formula
- C10H11N3O7
- SMILES
- CC(C(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])O
- InChI
- InChI=1S/C10H11N3O7/c1-5(14)9(10(15)16)11-7-3-2-6(12(17)18)4-8(7)13(19)20/h2-5,9,11,14H,1H3,(H,15,16)
- InChIKey
- PWOCOTZWYFGDMO-UHFFFAOYSA-N
- Compound name
- 2-(2,4-dinitroanilino)-3-hydroxybutanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 286.06698 | 155.3 |
[M+Na]+ | 308.04892 | 158.3 |
[M-H]- | 284.05242 | 156.1 |
[M+NH4]+ | 303.09352 | 181.9 |
[M+K]+ | 324.02286 | 149.5 |
[M+H-H2O]+ | 268.05696 | 157.5 |
[M+HCOO]- | 330.05790 | 188.3 |
[M+CH3COO]- | 344.07355 | 186.8 |
[M+Na-2H]- | 306.03437 | 160.5 |
[M]+ | 285.05915 | 150.5 |
[M]- | 285.06025 | 150.5 |