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: 67
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]+	202.98146	133.4
[M+Na]+	224.96340	137.9
[M+NH4]+	220.00800	137.5
[M+K]+	240.93734	138.3
[M-H]-	200.96690	132.6
[M+Na-2H]-	222.94885	136.7
[M]+	201.97363	132.5
[M]-	201.97473	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe