CID 24705006

2-{5-bromo-3-methyl-1h-pyrazolo[3,4-b]pyridin-1-yl}ethan-1-ol

Structural Information

Molecular Formula
C9H10BrN3O
SMILES
CC1=NN(C2=C1C=C(C=N2)Br)CCO
InChI
InChI=1S/C9H10BrN3O/c1-6-8-4-7(10)5-11-9(8)13(12-6)2-3-14/h4-5,14H,2-3H2,1H3
InChIKey
SVVUYMRGHUVUBD-UHFFFAOYSA-N
Compound name
2-(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.00072 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.007996 145.4
[M+Na]+ 277.989938 160.5
[M-H]- 253.993444 148.7
[M+NH4]+ 273.034543 165.3
[M+K]+ 293.963878 148.6
[M+H-H2O]+ 237.997980 144.8
[M+HCOO]- 299.998921 164.7
[M+CH3COO]- 314.014571 160.5
[M+Na-2H]- 275.975386 153.5
[M]+ 255.00017142 167.1
[M]- 255.00126858 167.1
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.