CID 135401759

4,5-dimethyl-2-(methylamino)-1h-pyrimidin-6-one

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

CC1=C(N=C(NC1=O)NC)C

InChI

InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)

InChIKey

IFOLNWVBRSCJOJ-UHFFFAOYSA-N

Compound name

4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 3
Patents: 153.09021 Da
Monoisotopic Mass: -0.1
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]+	154.09749	131.0
[M+Na]+	176.07943	141.2
[M-H]-	152.08293	131.7
[M+NH4]+	171.12403	149.4
[M+K]+	192.05337	138.4
[M+H-H2O]+	136.08747	124.5
[M+HCOO]-	198.08841	153.6
[M+CH3COO]-	212.10406	177.6
[M+Na-2H]-	174.06488	138.0
[M]+	153.08966	130.5
[M]-	153.09076	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe