PubChemLite - Nicotinamide riboside (C11H15N2O5)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	256.10538	155.4
[M+Na]+	278.08732	161.8
[M-H]-	254.09082	157.9
[M+NH4]+	273.13192	168.6
[M+K]+	294.06126	154.2
[M+H-H2O]+	238.09536	151.5
[M+HCOO]-	300.09630	172.0
[M+CH3COO]-	314.11195	181.8
[M+Na-2H]-	276.07277	158.4
[M]+	255.09755	151.3
[M]-	255.09865	151.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

256.10538

155.4

[M+Na]+

278.08732

161.8

[M-H]-

254.09082

157.9

[M+NH4]+

273.13192

168.6

[M+K]+

294.06126

154.2

[M+H-H2O]+

238.09536

151.5

[M+HCOO]-

300.09630

172.0

[M+CH3COO]-

314.11195

181.8

[M+Na-2H]-

276.07277

158.4

[M]+

255.09755

151.3

[M]-

255.09865

151.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Nicotinamide riboside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe