CID 277822

Deazaurd

Structural Information

Molecular Formula

C₁₀H₁₃NO₆

SMILES

C1C(=O)C=CN(C1=O)C2C(C(C(O2)CO)O)O

InChI

InChI=1S/C10H13NO6/c12-4-6-8(15)9(16)10(17-6)11-2-1-5(13)3-7(11)14/h1-2,6,8-10,12,15-16H,3-4H2

InChIKey

WIRVQQCUKDPURA-UHFFFAOYSA-N

Compound name

1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 243.07428 Da
Monoisotopic Mass: -1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	244.081556	150.0
[M+Na]+	266.063498	157.4
[M-H]-	242.067004	152.4
[M+NH4]+	261.108103	164.7
[M+K]+	282.037438	155.8
[M+H-H2O]+	226.071540	144.2
[M+HCOO]-	288.072481	165.3
[M+CH3COO]-	302.088131	184.3
[M+Na-2H]-	264.048946	150.2
[M]+	243.07373142	147.6
[M]-	243.07482858	147.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.