CID 57527274

{6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methanol

Structural Information

Molecular Formula
C6H5BrN4O
SMILES
C1=C(C=NC2=NC(=NN21)CO)Br
InChI
InChI=1S/C6H5BrN4O/c7-4-1-8-6-9-5(3-12)10-11(6)2-4/h1-2,12H,3H2
InChIKey
GVGKPVZXJRQKPY-UHFFFAOYSA-N
Compound name
(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

227.96468 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.971956 134.7
[M+Na]+ 250.953898 150.1
[M-H]- 226.957404 136.8
[M+NH4]+ 245.998503 154.0
[M+K]+ 266.927838 138.9
[M+H-H2O]+ 210.961940 133.8
[M+HCOO]- 272.962881 153.8
[M+CH3COO]- 286.978531 150.1
[M+Na-2H]- 248.939346 145.1
[M]+ 227.96413142 155.5
[M]- 227.96522858 155.5
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

patents stripe