CID 586611

4,5,6-trimethylpyrimidin-2-ol

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CC1=C(NC(=O)N=C1C)C

InChI

InChI=1S/C7H10N2O/c1-4-5(2)8-7(10)9-6(4)3/h1-3H3,(H,8,9,10)

InChIKey

ZRQPOQRDNYJQNB-UHFFFAOYSA-N

Compound name

4,5,6-trimethyl-1H-pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 138.07932 Da
Monoisotopic Mass: 0.3
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	125.9
[M+Na]+	161.068538	137.0
[M-H]-	137.072044	126.6
[M+NH4]+	156.113143	145.3
[M+K]+	177.042478	134.4
[M+H-H2O]+	121.076580	119.9
[M+HCOO]-	183.077521	147.5
[M+CH3COO]-	197.093171	172.6
[M+Na-2H]-	159.053986	132.7
[M]+	138.07877142	126.2
[M]-	138.07986858	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe