CID 54676068

3n-3du

Structural Information

Molecular Formula
C10H12N2O8
SMILES
C1=CN(C(=O)C(=C1O)[N+](=O)[O-])C2C(C(C(O2)CO)O)O
InChI
InChI=1S/C10H12N2O8/c13-3-5-7(15)8(16)10(20-5)11-2-1-4(14)6(9(11)17)12(18)19/h1-2,5,7-8,10,13-16H,3H2
InChIKey
FSHQLILARCGYGH-UHFFFAOYSA-N
Compound name
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-nitropyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.05936 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06664 155.9
[M+Na]+ 311.04858 163.1
[M-H]- 287.05208 158.0
[M+NH4]+ 306.09318 167.2
[M+K]+ 327.02252 157.2
[M+H-H2O]+ 271.05662 154.2
[M+HCOO]- 333.05756 173.3
[M+CH3COO]- 347.07321 184.6
[M+Na-2H]- 309.03403 159.7
[M]+ 288.05881 154.0
[M]- 288.05991 154.0
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.