CID 67501297

1256836-77-7

Structural Information

Molecular Formula
C9H10BrN3
SMILES
CC(C)C1=C2C(=CN=CC2=NN1)Br
InChI
InChI=1S/C9H10BrN3/c1-5(2)9-8-6(10)3-11-4-7(8)12-13-9/h3-5H,1-2H3,(H,12,13)
InChIKey
FPLWCRFDYZQUJC-UHFFFAOYSA-N
Compound name
4-bromo-3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

239.00581 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.01309 143.4
[M+Na]+ 261.99503 157.4
[M-H]- 237.99853 146.4
[M+NH4]+ 257.03963 163.6
[M+K]+ 277.96897 145.6
[M+H-H2O]+ 222.00307 142.8
[M+HCOO]- 284.00401 161.6
[M+CH3COO]- 298.01966 158.2
[M+Na-2H]- 259.98048 151.0
[M]+ 239.00526 162.8
[M]- 239.00636 162.8
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

patents stripe