CID 42614587

5-methylpyridine-2-boronic acid, pinacol ester

Structural Information

Molecular Formula
C12H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NC=C(C=C2)C
InChI
InChI=1S/C12H18BNO2/c1-9-6-7-10(14-8-9)13-15-11(2,3)12(4,5)16-13/h6-8H,1-5H3
InChIKey
QURLLHHERKWUHA-UHFFFAOYSA-N
Compound name
5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

219.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.15035 143.5
[M+Na]+ 242.13229 153.5
[M-H]- 218.13579 151.1
[M+NH4]+ 237.17689 164.5
[M+K]+ 258.10623 154.0
[M+H-H2O]+ 202.14033 138.4
[M+HCOO]- 264.14127 163.7
[M+CH3COO]- 278.15692 188.5
[M+Na-2H]- 240.11774 150.1
[M]+ 219.14252 146.8
[M]- 219.14362 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe