CID 17024812

3-bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Structural Information

Molecular Formula
C7H4BrN3O2
SMILES
C1=CN2C(=C(C(=N2)C(=O)O)Br)N=C1
InChI
InChI=1S/C7H4BrN3O2/c8-4-5(7(12)13)10-11-3-1-2-9-6(4)11/h1-3H,(H,12,13)
InChIKey
JEBAERKIRWXWQL-UHFFFAOYSA-N
Compound name
3-bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

240.94868 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.955956 137.8
[M+Na]+ 263.937898 152.5
[M-H]- 239.941404 141.2
[M+NH4]+ 258.982503 157.6
[M+K]+ 279.911838 141.6
[M+H-H2O]+ 223.945940 137.3
[M+HCOO]- 285.946881 157.1
[M+CH3COO]- 299.962531 153.2
[M+Na-2H]- 261.923346 146.6
[M]+ 240.94813142 158.5
[M]- 240.94922858 158.5
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