CID 121553606

2406206-23-1

Structural Information

Molecular Formula
C9H14BNO3
SMILES
B(C1=CN=C(C=C1)OCC(C)C)(O)O
InChI
InChI=1S/C9H14BNO3/c1-7(2)6-14-9-4-3-8(5-11-9)10(12)13/h3-5,7,12-13H,6H2,1-2H3
InChIKey
UCUOSQKSDIVWEQ-UHFFFAOYSA-N
Compound name
[6-(2-methylpropoxy)pyridin-3-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10667 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.11395 141.8
[M+Na]+ 218.09589 148.3
[M-H]- 194.09939 141.4
[M+NH4]+ 213.14049 158.6
[M+K]+ 234.06983 146.9
[M+H-H2O]+ 178.10393 135.5
[M+HCOO]- 240.10487 160.5
[M+CH3COO]- 254.12052 180.1
[M+Na-2H]- 216.08134 145.5
[M]+ 195.10612 142.2
[M]- 195.10722 142.2
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

No patent data available for this compound.