CID 13778740
112100-39-7
Structural Information
- Molecular Formula
- C6H11IO3
- SMILES
- CCOC(=O)C[C@@H](CI)O
- InChI
- InChI=1S/C6H11IO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3/t5-/m0/s1
- InChIKey
- SMWBHOKQXGBYJN-YFKPBYRVSA-N
- Compound name
- ethyl (3S)-3-hydroxy-4-iodobutanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 258.98256 | 145.7 |
[M+Na]+ | 280.96450 | 145.1 |
[M-H]- | 256.96800 | 138.0 |
[M+NH4]+ | 276.00910 | 161.2 |
[M+K]+ | 296.93844 | 151.0 |
[M+H-H2O]+ | 240.97254 | 137.4 |
[M+HCOO]- | 302.97348 | 161.6 |
[M+CH3COO]- | 316.98913 | 182.4 |
[M+Na-2H]- | 278.94995 | 136.6 |
[M]+ | 257.97473 | 144.8 |
[M]- | 257.97583 | 144.8 |