CID 45789781

148214-56-6

Structural Information

Molecular Formula

C₅H₆BrN₃O

SMILES

COC1=NC=C(C(=N1)N)Br

InChI

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

InChIKey

OFKKQTPLZJNGOF-UHFFFAOYSA-N

Compound name

5-bromo-2-methoxypyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
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]+	203.97670	129.5
[M+Na]+	225.95864	142.6
[M-H]-	201.96214	133.5
[M+NH4]+	221.00324	149.6
[M+K]+	241.93258	132.0
[M+H-H2O]+	185.96668	128.4
[M+HCOO]-	247.96762	151.0
[M+CH3COO]-	261.98327	183.6
[M+Na-2H]-	223.94409	138.9
[M]+	202.96887	148.1
[M]-	202.96997	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe