CID 608811

5-bromo-4,6-dimethylpyrimidin-2-ol

Structural Information

Molecular Formula

C₆H₇BrN₂O

SMILES

CC1=C(C(=NC(=O)N1)C)Br

InChI

InChI=1S/C6H7BrN2O/c1-3-5(7)4(2)9-6(10)8-3/h1-2H3,(H,8,9,10)

InChIKey

YIOKKPFNMLYMET-UHFFFAOYSA-N

Compound name

5-bromo-4,6-dimethyl-1H-pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 201.97418 Da
Monoisotopic Mass: 0.9
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]+	202.981456	128.9
[M+Na]+	224.963398	143.2
[M-H]-	200.966904	132.4
[M+NH4]+	220.008003	149.3
[M+K]+	240.937338	131.7
[M+H-H2O]+	184.971440	129.0
[M+HCOO]-	246.972381	148.5
[M+CH3COO]-	260.988031	180.4
[M+Na-2H]-	222.948846	137.4
[M]+	201.97363142	147.5
[M]-	201.97472858	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe