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[3,4-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]+ 256.00800 145.4
[M+Na]+ 277.98994 160.5
[M-H]- 253.99344 148.7
[M+NH4]+ 273.03454 165.3
[M+K]+ 293.96388 148.6
[M+H-H2O]+ 237.99798 144.8
[M+HCOO]- 299.99892 164.7
[M+CH3COO]- 314.01457 160.5
[M+Na-2H]- 275.97539 153.5
[M]+ 255.00017 167.1
[M]- 255.00127 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.