CID 86346452

1150632-93-1

Structural Information

Molecular Formula
C14H22BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C(OC)OC
InChI
InChI=1S/C14H22BNO4/c1-13(2)14(3,4)20-15(19-13)10-7-8-11(16-9-10)12(17-5)18-6/h7-9,12H,1-6H3
InChIKey
VYLIORWIFDJVCE-UHFFFAOYSA-N
Compound name
2-(dimethoxymethyl)-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

4
Patents

279.16418 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.17146 159.0
[M+Na]+ 302.15340 167.6
[M-H]- 278.15690 166.3
[M+NH4]+ 297.19800 177.3
[M+K]+ 318.12734 169.3
[M+H-H2O]+ 262.16144 153.6
[M+HCOO]- 324.16238 177.9
[M+CH3COO]- 338.17803 199.6
[M+Na-2H]- 300.13885 163.7
[M]+ 279.16363 165.3
[M]- 279.16473 165.3
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