CID 68692144

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

Structural Information

Molecular Formula
C7H4BrN3O2
SMILES
C1=CN2C(=C(C=N2)Br)N=C1C(=O)O
InChI
InChI=1S/C7H4BrN3O2/c8-4-3-9-11-2-1-5(7(12)13)10-6(4)11/h1-3H,(H,12,13)
InChIKey
JLNZFMZQGVWHRS-UHFFFAOYSA-N
Compound name
3-bromopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

240.94868 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.95596 137.8
[M+Na]+ 263.93790 152.5
[M-H]- 239.94140 141.2
[M+NH4]+ 258.98250 157.6
[M+K]+ 279.91184 141.6
[M+H-H2O]+ 223.94594 137.3
[M+HCOO]- 285.94688 157.1
[M+CH3COO]- 299.96253 153.2
[M+Na-2H]- 261.92335 146.6
[M]+ 240.94813 158.5
[M]- 240.94923 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