CID 132342264

{1-methyl-1h-pyrazolo[4,3-b]pyridin-6-yl}boronic acid hydrochloride

Structural Information

Molecular Formula
C7H8BN3O2
SMILES
B(C1=CC2=C(C=NN2C)N=C1)(O)O
InChI
InChI=1S/C7H8BN3O2/c1-11-7-2-5(8(12)13)3-9-6(7)4-10-11/h2-4,12-13H,1H3
InChIKey
GYAPIZVBNHKKBR-UHFFFAOYSA-N
Compound name
(1-methylpyrazolo[4,3-b]pyridin-6-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

177.07095 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.07823 133.7
[M+Na]+ 200.06017 144.7
[M-H]- 176.06367 132.8
[M+NH4]+ 195.10477 151.8
[M+K]+ 216.03411 141.6
[M+H-H2O]+ 160.06821 126.8
[M+HCOO]- 222.06915 153.3
[M+CH3COO]- 236.08480 146.8
[M+Na-2H]- 198.04562 140.6
[M]+ 177.07040 135.1
[M]- 177.07150 135.1
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

patents stripe