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 153.7
[M+Na]+ 295.05367 159.7
[M-H]- 271.05717 156.5
[M+NH4]+ 290.09827 166.1
[M+K]+ 311.02761 154.5
[M+H-H2O]+ 255.06171 151.5
[M+HCOO]- 317.06265 172.5
[M+CH3COO]- 331.07830 182.6
[M+Na-2H]- 293.03912 158.9
[M]+ 272.06390 152.1
[M]- 272.06500 152.1
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