CID 771938

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

Structural Information

Molecular Formula
C7H4BrN3O2
SMILES
C1=C2N=CC(=CN2N=C1C(=O)O)Br
InChI
InChI=1S/C7H4BrN3O2/c8-4-2-9-6-1-5(7(12)13)10-11(6)3-4/h1-3H,(H,12,13)
InChIKey
WDICXYMIEJAABR-UHFFFAOYSA-N
Compound name
6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

56
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

literature stripe

Patent stripe

patents stripe