CID 12007219

En300-7547641

Structural Information

Molecular Formula
C13H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC(=C2)C)C
InChI
InChI=1S/C13H20BNO2/c1-9-7-11(8-10(2)15-9)14-16-12(3,4)13(5,6)17-14/h7-8H,1-6H3
InChIKey
XYNDKPYVNTVDAH-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

274
Patents

233.1587 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16598 146.9
[M+Na]+ 256.14792 157.4
[M-H]- 232.15142 154.7
[M+NH4]+ 251.19252 167.7
[M+K]+ 272.12186 157.7
[M+H-H2O]+ 216.15596 142.0
[M+HCOO]- 278.15690 166.7
[M+CH3COO]- 292.17255 192.7
[M+Na-2H]- 254.13337 152.4
[M]+ 233.15815 151.0
[M]- 233.15925 151.0
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