CID 492057

Chembl141457

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₃

SMILES

CN1C(=O)C=C(N=C1OC)CC2CCCO2

InChI

InChI=1S/C11H16N2O3/c1-13-10(14)7-8(12-11(13)15-2)6-9-4-3-5-16-9/h7,9H,3-6H2,1-2H3

InChIKey

CBDMAEXODJLIMR-UHFFFAOYSA-N

Compound name

2-methoxy-3-methyl-6-(oxolan-2-ylmethyl)pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 224.11609 Da
Monoisotopic Mass: 0.5
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]+	225.12337	147.9
[M+Na]+	247.10531	156.7
[M-H]-	223.10881	152.8
[M+NH4]+	242.14991	164.2
[M+K]+	263.07925	155.7
[M+H-H2O]+	207.11335	140.1
[M+HCOO]-	269.11429	168.4
[M+CH3COO]-	283.12994	187.8
[M+Na-2H]-	245.09076	151.5
[M]+	224.11554	150.2
[M]-	224.11664	150.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.