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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.97162 132.9
[M+Na]+ 241.95356 145.9
[M-H]- 217.95706 134.5
[M+NH4]+ 236.99816 151.0
[M+K]+ 257.92750 133.4
[M+H-H2O]+ 201.96160 132.0
[M+HCOO]- 263.96254 151.7
[M+CH3COO]- 277.97819 181.4
[M+Na-2H]- 239.93901 140.4
[M]+ 218.96379 148.8
[M]- 218.96489 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.