CID 136311156

2995274-96-7

Structural Information

Molecular Formula
C5H7BrN4O
SMILES
C(C1=C(C(=O)NC(=N1)N)Br)N
InChI
InChI=1S/C5H7BrN4O/c6-3-2(1-7)9-5(8)10-4(3)11/h1,7H2,(H3,8,9,10,11)
InChIKey
JDIGGOVBAOMKOO-UHFFFAOYSA-N
Compound name
2-amino-4-(aminomethyl)-5-bromo-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.98032 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.987596 133.7
[M+Na]+ 240.969538 146.3
[M-H]- 216.973044 136.1
[M+NH4]+ 236.014143 151.9
[M+K]+ 256.943478 133.5
[M+H-H2O]+ 200.977580 132.0
[M+HCOO]- 262.978521 154.0
[M+CH3COO]- 276.994171 185.9
[M+Na-2H]- 238.954986 140.9
[M]+ 217.97977142 148.3
[M]- 217.98086858 148.3
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.