CID 535968

98792-85-9

Structural Information

Molecular Formula

C₈H₁₀N₂O₃

SMILES

CC(=O)C1=C(N=CN=C1OC)OC

InChI

InChI=1S/C8H10N2O3/c1-5(11)6-7(12-2)9-4-10-8(6)13-3/h4H,1-3H3

InChIKey

LAPSNRHJNYFYPH-UHFFFAOYSA-N

Compound name

1-(4,6-dimethoxypyrimidin-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 182.06914 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]+	183.07642	135.5
[M+Na]+	205.05836	145.2
[M-H]-	181.06186	137.1
[M+NH4]+	200.10296	153.1
[M+K]+	221.03230	144.7
[M+H-H2O]+	165.06640	128.3
[M+HCOO]-	227.06734	157.7
[M+CH3COO]-	241.08299	182.1
[M+Na-2H]-	203.04381	141.8
[M]+	182.06859	139.9
[M]-	182.06969	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe