CID 161234
D-ribosylnicotinic acid
Structural Information
- Molecular Formula
- C11H14NO6
- SMILES
- C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)O
- InChI
- InChI=1S/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/p+1/t7-,8-,9-,10-/m1/s1
- InChIKey
- PUEDDPCUCPRQNY-ZYUZMQFOSA-O
- Compound name
- 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 257.08940 | 154.5 |
[M+Na]+ | 279.07134 | 161.3 |
[M-H]- | 255.07484 | 156.2 |
[M+NH4]+ | 274.11594 | 167.5 |
[M+K]+ | 295.04528 | 153.8 |
[M+H-H2O]+ | 239.07938 | 151.2 |
[M+HCOO]- | 301.08032 | 169.5 |
[M+CH3COO]- | 315.09597 | 177.1 |
[M+Na-2H]- | 277.05679 | 157.8 |
[M]+ | 256.08157 | 151.8 |
[M]- | 256.08267 | 151.8 |