CID 66521215

[5-(1h-pyrazol-1-yl)pyridin-3-yl]boronic acid hydrochloride

Structural Information

Molecular Formula
C8H8BN3O2
SMILES
B(C1=CC(=CN=C1)N2C=CC=N2)(O)O
InChI
InChI=1S/C8H8BN3O2/c13-9(14)7-4-8(6-10-5-7)12-3-1-2-11-12/h1-6,13-14H
InChIKey
SZGABNYLCUFJLQ-UHFFFAOYSA-N
Compound name
(5-pyrazol-1-ylpyridin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

189.07095 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.07823 137.1
[M+Na]+ 212.06017 145.5
[M-H]- 188.06367 137.7
[M+NH4]+ 207.10477 152.8
[M+K]+ 228.03411 142.5
[M+H-H2O]+ 172.06821 128.9
[M+HCOO]- 234.06915 156.5
[M+CH3COO]- 248.08480 149.3
[M+Na-2H]- 210.04562 142.6
[M]+ 189.07040 135.6
[M]- 189.07150 135.6
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