CID 54716343

Nsc603335

Structural Information

Molecular Formula
C10H12ClNO6
SMILES
C1=CN(C(=O)C(=C1O)Cl)C2C(C(C(O2)CO)O)O
InChI
InChI=1S/C10H12ClNO6/c11-6-4(14)1-2-12(9(6)17)10-8(16)7(15)5(3-13)18-10/h1-2,5,7-8,10,13-16H,3H2
InChIKey
GLWRZDVTMJHWEG-UHFFFAOYSA-N
Compound name
3-chloro-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxypyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

277.0353 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.04258 154.7
[M+Na]+ 300.02452 164.9
[M-H]- 276.02802 156.8
[M+NH4]+ 295.06912 168.8
[M+K]+ 315.99846 161.1
[M+H-H2O]+ 260.03256 150.0
[M+HCOO]- 322.03350 166.7
[M+CH3COO]- 336.04915 187.3
[M+Na-2H]- 298.00997 155.1
[M]+ 277.03475 156.4
[M]- 277.03585 156.4
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

No patent data available for this compound.