CID 44119193

4-bromo-2-methoxypyrimidine

Structural Information

Molecular Formula

C₅H₅BrN₂O

SMILES

COC1=NC=CC(=N1)Br

InChI

InChI=1S/C5H5BrN2O/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3

InChIKey

PVSARKGLAVSMNA-UHFFFAOYSA-N

Compound name

4-bromo-2-methoxypyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 168
Patents: 187.95853 Da
Monoisotopic Mass: 1.5
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]+	188.96581	129.2
[M+Na]+	210.94775	133.7
[M+NH4]+	205.99235	134.0
[M+K]+	226.92169	133.9
[M-H]-	186.95125	129.1
[M+Na-2H]-	208.93320	134.0
[M]+	187.95798	128.6
[M]-	187.95908	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe