CID 135594057

6-(methoxymethyl)pyrimidin-4-ol

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

COCC1=CC(=O)NC=N1

InChI

InChI=1S/C6H8N2O2/c1-10-3-5-2-6(9)8-4-7-5/h2,4H,3H2,1H3,(H,7,8,9)

InChIKey

TUWLYFAEAPMOJS-UHFFFAOYSA-N

Compound name

4-(methoxymethyl)-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 140.05858 Da
Monoisotopic Mass: -1.1
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]+	141.065856	125.1
[M+Na]+	163.047798	134.6
[M-H]-	139.051304	125.1
[M+NH4]+	158.092403	143.6
[M+K]+	179.021738	132.6
[M+H-H2O]+	123.055840	118.4
[M+HCOO]-	185.056781	147.2
[M+CH3COO]-	199.072431	169.3
[M+Na-2H]-	161.033246	133.8
[M]+	140.05803142	125.6
[M]-	140.05912858	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe