CID 89509456

1430401-34-5

Structural Information

Molecular Formula
C13H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)COC
InChI
InChI=1S/C13H20BNO3/c1-12(2)13(3,4)18-14(17-12)10-6-7-11(9-16-5)15-8-10/h6-8H,9H2,1-5H3
InChIKey
SCPWCHJJNLXTIM-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

249.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16091 153.2
[M+Na]+ 272.14285 165.9
[M+NH4]+ 267.18745 163.7
[M+K]+ 288.11679 158.8
[M-H]- 248.14635 158.4
[M+Na-2H]- 270.12830 161.2
[M]+ 249.15308 156.9
[M]- 249.15418 156.9
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