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

21
Patents

227.96468 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.97196 143.7
[M+Na]+ 250.95390 148.0
[M+NH4]+ 245.99850 147.3
[M+K]+ 266.92784 149.9
[M-H]- 226.95740 141.9
[M+Na-2H]- 248.93935 146.4
[M]+ 227.96413 142.5
[M]- 227.96523 142.5
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