CID 57416503

2-(hydroxymethyl)pyridine-5-boronic acid, pinacol ester

Structural Information

Molecular Formula
C12H18BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)CO
InChI
InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-5-6-10(8-15)14-7-9/h5-7,15H,8H2,1-4H3
InChIKey
XFCRCZYNRQHVDP-UHFFFAOYSA-N
Compound name
[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

235.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.14525 148.0
[M+Na]+ 258.12719 157.4
[M-H]- 234.13069 154.2
[M+NH4]+ 253.17179 167.5
[M+K]+ 274.10113 157.5
[M+H-H2O]+ 218.13523 143.0
[M+HCOO]- 280.13617 166.8
[M+CH3COO]- 294.15182 188.1
[M+Na-2H]- 256.11264 154.2
[M]+ 235.13742 150.9
[M]- 235.13852 150.9
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