CID 191091

1,2-dihydro-1-beta-d-ribofuranosyl-2-oxonicotinic acid

Structural Information

Molecular Formula
C11H13NO7
SMILES
C1=CN(C(=O)C(=C1)C(=O)O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C11H13NO7/c13-4-6-7(14)8(15)10(19-6)12-3-1-2-5(9(12)16)11(17)18/h1-3,6-8,10,13-15H,4H2,(H,17,18)/t6-,7-,8-,10-/m1/s1
InChIKey
NJKJOPLKUBFCRT-FDDDBJFASA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

271.0692 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07648 154.7
[M+Na]+ 294.05842 162.6
[M-H]- 270.06192 156.4
[M+NH4]+ 289.10302 167.5
[M+K]+ 310.03236 160.9
[M+H-H2O]+ 254.06646 148.7
[M+HCOO]- 316.06740 170.2
[M+CH3COO]- 330.08305 187.9
[M+Na-2H]- 292.04387 154.7
[M]+ 271.06865 154.5
[M]- 271.06975 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.