CID 473356

Nsc79075

Structural Information

Molecular Formula
C9H9N3O9
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)C(=O)O)O)O)[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O9/c13-3-4(14)7(21-5(3)8(16)17)11-1-2(12(19)20)6(15)10-9(11)18/h1,3-5,7,13-14H,(H,16,17)(H,10,15,18)/t3-,4+,5-,7+/m0/s1
InChIKey
DUBUXQUVDJJEBA-RASXUPOOSA-N
Compound name
(2S,3S,4R,5R)-3,4-dihydroxy-5-(5-nitro-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.03387 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04115 155.7
[M+Na]+ 326.02309 163.0
[M-H]- 302.02659 156.9
[M+NH4]+ 321.06769 164.6
[M+K]+ 341.99703 157.4
[M+H-H2O]+ 286.03113 153.4
[M+HCOO]- 348.03207 171.7
[M+CH3COO]- 362.04772 186.4
[M+Na-2H]- 324.00854 159.3
[M]+ 303.03332 153.2
[M]- 303.03442 153.2
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

No patent data available for this compound.