CID 119031475

2-{3-bromopyrazolo[1,5-a]pyrimidin-6-yl}ethan-1-ol

Structural Information

Molecular Formula
C8H8BrN3O
SMILES
C1=C(C=NC2=C(C=NN21)Br)CCO
InChI
InChI=1S/C8H8BrN3O/c9-7-4-11-12-5-6(1-2-13)3-10-8(7)12/h3-5,13H,1-2H2
InChIKey
KXMWKDHPRHTLOX-UHFFFAOYSA-N
Compound name
2-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.98508 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.99236 140.7
[M+Na]+ 263.97430 155.3
[M-H]- 239.97780 143.8
[M+NH4]+ 259.01890 160.8
[M+K]+ 279.94824 143.8
[M+H-H2O]+ 223.98234 140.0
[M+HCOO]- 285.98328 160.4
[M+CH3COO]- 299.99893 155.9
[M+Na-2H]- 261.95975 150.0
[M]+ 240.98453 161.7
[M]- 240.98563 161.7
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.