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

13
Patents

239.00581 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.013086 143.4
[M+Na]+ 261.995028 157.4
[M-H]- 237.998534 146.4
[M+NH4]+ 257.039633 163.6
[M+K]+ 277.968968 145.6
[M+H-H2O]+ 222.003070 142.8
[M+HCOO]- 284.004011 161.6
[M+CH3COO]- 298.019661 158.2
[M+Na-2H]- 259.980476 151.0
[M]+ 239.00526142 162.8
[M]- 239.00635858 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