CID 58496296

2-(2-methoxy-ethoxy)-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine

Structural Information

Molecular Formula
C14H22BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OCCOC
InChI
InChI=1S/C14H22BNO4/c1-13(2)14(3,4)20-15(19-13)11-6-7-12(16-10-11)18-9-8-17-5/h6-7,10H,8-9H2,1-5H3
InChIKey
XXIFFWUJVLUWSG-UHFFFAOYSA-N
Compound name
2-(2-methoxyethoxy)-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

75
Patents

279.16418 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.17146 158.8
[M+Na]+ 302.15340 167.7
[M-H]- 278.15690 166.0
[M+NH4]+ 297.19800 177.2
[M+K]+ 318.12734 168.8
[M+H-H2O]+ 262.16144 153.1
[M+HCOO]- 324.16238 178.7
[M+CH3COO]- 338.17803 198.7
[M+Na-2H]- 300.13885 164.6
[M]+ 279.16363 165.7
[M]- 279.16473 165.7
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