CID 11038436
21959-36-4
Structural Information
- Molecular Formula
- C13H15I2NO4
- SMILES
- CCOC(=O)[C@H](CC1=CC(=C(C(=C1)I)O)I)NC(=O)C
- InChI
- InChI=1S/C13H15I2NO4/c1-3-20-13(19)11(16-7(2)17)6-8-4-9(14)12(18)10(15)5-8/h4-5,11,18H,3,6H2,1-2H3,(H,16,17)/t11-/m0/s1
- InChIKey
- BPKHOPGWGZAARI-NSHDSACASA-N
- Compound name
- ethyl (2S)-2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 503.91634 | 184.5 |
[M+Na]+ | 525.89828 | 176.1 |
[M-H]- | 501.90178 | 175.1 |
[M+NH4]+ | 520.94288 | 189.1 |
[M+K]+ | 541.87222 | 186.1 |
[M+H-H2O]+ | 485.90632 | 171.9 |
[M+HCOO]- | 547.90726 | 193.3 |
[M+CH3COO]- | 561.92291 | 221.0 |
[M+Na-2H]- | 523.88373 | 166.1 |
[M]+ | 502.90851 | 181.2 |
[M]- | 502.90961 | 181.2 |