CID 130153255

1-ethyl-2-methyl-1,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CCN1C=CC(=O)N=C1C

InChI

InChI=1S/C7H10N2O/c1-3-9-5-4-7(10)8-6(9)2/h4-5H,3H2,1-2H3

InChIKey

CJQMTKXEKKNLNY-UHFFFAOYSA-N

Compound name

1-ethyl-2-methylpyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 138.07932 Da
Monoisotopic Mass: -0.2
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]+	139.086596	125.2
[M+Na]+	161.068538	135.8
[M-H]-	137.072044	126.9
[M+NH4]+	156.113143	145.0
[M+K]+	177.042478	134.1
[M+H-H2O]+	121.076580	118.7
[M+HCOO]-	183.077521	148.3
[M+CH3COO]-	197.093171	174.1
[M+Na-2H]-	159.053986	133.3
[M]+	138.07877142	127.0
[M]-	138.07986858	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.