CID 146037633

Ns00066872

Structural Information

Molecular Formula

C₈H₁₃N₃O₂

SMILES

CC1=C(C(=O)NC(=N1)N(C)C)CO

InChI

InChI=1S/C8H13N3O2/c1-5-6(4-12)7(13)10-8(9-5)11(2)3/h12H,4H2,1-3H3,(H,9,10,13)

InChIKey

DLLFUNDBYAKSTR-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-5-(hydroxymethyl)-4-methyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.10077 Da
Monoisotopic Mass: -0.7
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]+	184.10805	138.6
[M+Na]+	206.08999	148.0
[M-H]-	182.09349	139.2
[M+NH4]+	201.13459	155.6
[M+K]+	222.06393	145.9
[M+H-H2O]+	166.09803	131.7
[M+HCOO]-	228.09897	160.0
[M+CH3COO]-	242.11462	183.7
[M+Na-2H]-	204.07544	143.8
[M]+	183.10022	139.3
[M]-	183.10132	139.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.