CID 45036937

2-amino-5-bromo-4-methoxypyrimidine

Structural Information

Molecular Formula

C₅H₆BrN₃O

SMILES

COC1=NC(=NC=C1Br)N

InChI

InChI=1S/C5H6BrN3O/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3,(H2,7,8,9)

InChIKey

YGRROWNSCFWHHN-UHFFFAOYSA-N

Compound name

5-bromo-4-methoxypyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 184
Patents: 202.96942 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]+	203.976696	129.5
[M+Na]+	225.958638	142.6
[M-H]-	201.962144	133.5
[M+NH4]+	221.003243	149.6
[M+K]+	241.932578	132.0
[M+H-H2O]+	185.966680	128.4
[M+HCOO]-	247.967621	151.0
[M+CH3COO]-	261.983271	183.6
[M+Na-2H]-	223.944086	138.9
[M]+	202.96887142	148.1
[M]-	202.96996858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe