CID 83669781

3-bromo-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

Structural Information

Molecular Formula
C8H6BrN3O2
SMILES
CC1=NN2C=C(C=NC2=C1Br)C(=O)O
InChI
InChI=1S/C8H6BrN3O2/c1-4-6(9)7-10-2-5(8(13)14)3-12(7)11-4/h2-3H,1H3,(H,13,14)
InChIKey
DFRWGPVVTLLTDT-UHFFFAOYSA-N
Compound name
3-bromo-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.96434 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.97162 142.3
[M+Na]+ 277.95356 157.5
[M-H]- 253.95706 145.9
[M+NH4]+ 272.99816 161.9
[M+K]+ 293.92750 146.3
[M+H-H2O]+ 237.96160 141.9
[M+HCOO]- 299.96254 161.3
[M+CH3COO]- 313.97819 188.8
[M+Na-2H]- 275.93901 149.9
[M]+ 254.96379 163.8
[M]- 254.96489 163.8
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.