CID 69914212

195385-99-0

Structural Information

Molecular Formula
C10H12N2O7
SMILES
C1=CC(=NC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C10H12N2O7/c13-4-6-8(14)9(15)10(18-6)19-7-2-1-5(3-11-7)12(16)17/h1-3,6,8-10,13-15H,4H2/t6-,8-,9-,10+/m1/s1
InChIKey
JSWZIODQDHHASH-QQRDMOCMSA-N
Compound name
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(5-nitropyridin-2-yl)oxyoxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

272.06445 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07173 155.3
[M+Na]+ 295.05367 165.1
[M+NH4]+ 290.09827 159.9
[M+K]+ 311.02761 167.7
[M-H]- 271.05717 157.1
[M+Na-2H]- 293.03912 157.1
[M]+ 272.06390 156.6
[M]- 272.06500 156.6
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

patents stripe