CID 146155755

2416235-48-6

Structural Information

Molecular Formula

C₅H₆BrN₃O₂

SMILES

C(C1=C(C(=O)NC(=N1)N)Br)O

InChI

InChI=1S/C5H6BrN3O2/c6-3-2(1-10)8-5(7)9-4(3)11/h10H,1H2,(H3,7,8,9,11)

InChIKey

FVSWHAIVJPQVMI-UHFFFAOYSA-N

Compound name

2-amino-5-bromo-4-(hydroxymethyl)-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.96434 Da
Monoisotopic Mass: -1.3
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]+	219.971616	132.9
[M+Na]+	241.953558	145.9
[M-H]-	217.957064	134.5
[M+NH4]+	236.998163	151.0
[M+K]+	257.927498	133.4
[M+H-H2O]+	201.961600	132.0
[M+HCOO]-	263.962541	151.7
[M+CH3COO]-	277.978191	181.4
[M+Na-2H]-	239.939006	140.4
[M]+	218.96379142	148.8
[M]-	218.96488858	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.