CID 54690701

1-((2-hydroxyethoxy)methyl)-3-deazauracil

Structural Information

Molecular Formula

C₈H₁₁NO₄

SMILES

C1=CN(C(=O)C=C1O)COCCO

InChI

InChI=1S/C8H11NO4/c10-3-4-13-6-9-2-1-7(11)5-8(9)12/h1-2,5,10-11H,3-4,6H2

InChIKey

DAKANYAKSVXQFN-UHFFFAOYSA-N

Compound name

4-hydroxy-1-(2-hydroxyethoxymethyl)pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 185.0688 Da
Monoisotopic Mass: -1.0
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]+	186.07608	135.5
[M+Na]+	208.05802	144.4
[M-H]-	184.06152	135.6
[M+NH4]+	203.10262	152.9
[M+K]+	224.03196	142.3
[M+H-H2O]+	168.06606	129.3
[M+HCOO]-	230.06700	157.1
[M+CH3COO]-	244.08265	175.5
[M+Na-2H]-	206.04347	141.9
[M]+	185.06825	137.6
[M]-	185.06935	137.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.