CID 84725752

1781102-25-7

Structural Information

Molecular Formula
C8H8BrN3
SMILES
CC1=NN(C2=C1N=CC(=C2)Br)C
InChI
InChI=1S/C8H8BrN3/c1-5-8-7(12(2)11-5)3-6(9)4-10-8/h3-4H,1-2H3
InChIKey
HOGKPEUPMSQGIA-UHFFFAOYSA-N
Compound name
6-bromo-1,3-dimethylpyrazolo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

224.99016 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.997436 137.2
[M+Na]+ 247.979378 153.4
[M-H]- 223.982884 142.0
[M+NH4]+ 243.023983 159.0
[M+K]+ 263.953318 142.2
[M+H-H2O]+ 207.987420 136.8
[M+HCOO]- 269.988361 158.1
[M+CH3COO]- 284.004011 153.6
[M+Na-2H]- 245.964826 146.3
[M]+ 224.98961142 159.0
[M]- 224.99070858 159.0
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