CID 82482
10238-28-5
Structural Information
- Molecular Formula
- C11H13NO7
- SMILES
- C1[C@H]([C@@H]([C@H]([C@H](O1)OC2=CC=C(C=C2)[N+](=O)[O-])O)O)O
- InChI
- InChI=1S/C11H13NO7/c13-8-5-18-11(10(15)9(8)14)19-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9+,10-,11-/m1/s1
- InChIKey
- MLJYKRYCCUGBBV-LMLFDSFASA-N
- Compound name
- (2R,3R,4S,5R)-2-(4-nitrophenoxy)oxane-3,4,5-triol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 272.07648 | 155.0 |
[M+Na]+ | 294.05842 | 166.0 |
[M+NH4]+ | 289.10302 | 160.6 |
[M+K]+ | 310.03236 | 165.9 |
[M-H]- | 270.06192 | 158.5 |
[M+Na-2H]- | 292.04387 | 158.2 |
[M]+ | 271.06865 | 157.1 |
[M]- | 271.06975 | 157.1 |