CID 84727963

1784271-65-3

Structural Information

Molecular Formula
C9H10BrN3
SMILES
CC(C)N1C2=C(C=N1)N=CC(=C2)Br
InChI
InChI=1S/C9H10BrN3/c1-6(2)13-9-3-7(10)4-11-8(9)5-12-13/h3-6H,1-2H3
InChIKey
AJJSFVYHVCYYBW-UHFFFAOYSA-N
Compound name
6-bromo-1-propan-2-ylpyrazolo[4,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

239.00581 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.01309 142.4
[M+Na]+ 261.99503 157.0
[M-H]- 237.99853 146.8
[M+NH4]+ 257.03963 163.3
[M+K]+ 277.96897 146.0
[M+H-H2O]+ 222.00307 141.7
[M+HCOO]- 284.00401 162.1
[M+CH3COO]- 298.01966 157.9
[M+Na-2H]- 259.98048 150.6
[M]+ 239.00526 163.7
[M]- 239.00636 163.7
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