CID 135431314

76750-84-0

Structural Information

Molecular Formula

C₆H₁₀N₄O

SMILES

CN(C)C1=NC(=CC(=O)N1)N

InChI

InChI=1S/C6H10N4O/c1-10(2)6-8-4(7)3-5(11)9-6/h3H,1-2H3,(H3,7,8,9,11)

InChIKey

ZBWZIUPJSKQVQC-UHFFFAOYSA-N

Compound name

4-amino-2-(dimethylamino)-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 154.08546 Da
Monoisotopic Mass: -1.2
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]+	155.09274	130.7
[M+Na]+	177.07468	139.7
[M-H]-	153.07818	132.1
[M+NH4]+	172.11928	148.7
[M+K]+	193.04862	138.0
[M+H-H2O]+	137.08272	123.5
[M+HCOO]-	199.08366	154.5
[M+CH3COO]-	213.09931	181.2
[M+Na-2H]-	175.06013	137.5
[M]+	154.08491	128.9
[M]-	154.08601	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe