CID 45588135

3-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
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

No literature data available for this compound.

Patent stripe

patents stripe