CID 57339263

3,3'-bipyridine-2,2',5,5',6,6'-hexol

Structural Information

Molecular Formula
C10H8N2O6
SMILES
C1=C(C(=O)NC(=C1C2=C(NC(=O)C(=C2)O)O)O)O
InChI
InChI=1S/C10H8N2O6/c13-5-1-3(7(15)11-9(5)17)4-2-6(14)10(18)12-8(4)16/h1-2,13-14H,(H2,11,15,17)(H2,12,16,18)
InChIKey
NBIHFUSWKJIAKM-UHFFFAOYSA-N
Compound name
5-(2,5-dihydroxy-6-oxo-1H-pyridin-3-yl)-3,6-dihydroxy-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

252.03824 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.04552 152.0
[M+Na]+ 275.02746 162.8
[M-H]- 251.03096 150.1
[M+NH4]+ 270.07206 162.7
[M+K]+ 291.00140 157.0
[M+H-H2O]+ 235.03550 145.1
[M+HCOO]- 297.03644 167.2
[M+CH3COO]- 311.05209 181.3
[M+Na-2H]- 273.01291 154.8
[M]+ 252.03769 149.2
[M]- 252.03879 149.2
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