CID 439924

Nicotinamide riboside

Structural Information

Molecular Formula
C11H15N2O5
SMILES
C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
InChI
InChI=1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/m1/s1
InChIKey
JLEBZPBDRKPWTD-TURQNECASA-O
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

356
References

4509
Patents

255.0981 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10538 153.6
[M+Na]+ 278.08732 163.9
[M+NH4]+ 273.13192 159.4
[M+K]+ 294.06126 164.7
[M-H]- 254.09082 156.4
[M+Na-2H]- 276.07277 156.2
[M]+ 255.09755 155.6
[M]- 255.09865 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe