CID 17750191

848243-23-2

Structural Information

Molecular Formula
C13H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)OCC
InChI
InChI=1S/C13H20BNO3/c1-6-16-11-10(8-7-9-15-11)14-17-12(2,3)13(4,5)18-14/h7-9H,6H2,1-5H3
InChIKey
GRXNEZGBXVIORK-UHFFFAOYSA-N
Compound name
2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

249.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16091 151.3
[M+Na]+ 272.14285 160.7
[M-H]- 248.14635 158.7
[M+NH4]+ 267.18745 171.0
[M+K]+ 288.11679 161.5
[M+H-H2O]+ 232.15089 145.9
[M+HCOO]- 294.15183 171.3
[M+CH3COO]- 308.16748 193.6
[M+Na-2H]- 270.12830 157.5
[M]+ 249.15308 156.4
[M]- 249.15418 156.4
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