CID 16731813
N-acetyl-alpha-d-muramate 1-phosphate
Structural Information
- Molecular Formula
- C11H20NO11P
- SMILES
- C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C
- InChI
- InChI=1S/C11H20NO11P/c1-4(10(16)17)21-9-7(12-5(2)14)11(23-24(18,19)20)22-6(3-13)8(9)15/h4,6-9,11,13,15H,3H2,1-2H3,(H,12,14)(H,16,17)(H2,18,19,20)/t4-,6-,7-,8-,9-,11-/m1/s1
- InChIKey
- DTSXRQWOCZUNPL-YVNCZSHWSA-N
- Compound name
- (2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl]oxypropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 374.08468 | 175.3 |
[M+Na]+ | 396.06662 | 177.2 |
[M-H]- | 372.07012 | 171.1 |
[M+NH4]+ | 391.11122 | 181.8 |
[M+K]+ | 412.04056 | 180.1 |
[M+H-H2O]+ | 356.07466 | 167.1 |
[M+HCOO]- | 418.07560 | 190.4 |
[M+CH3COO]- | 432.09125 | 210.2 |
[M+Na-2H]- | 394.05207 | 172.4 |
[M]+ | 373.07685 | 176.3 |
[M]- | 373.07795 | 176.3 |