CID 2734656

329214-79-1

Structural Information

Molecular Formula
C11H16BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=CC=C2
InChI
InChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9/h5-8H,1-4H3
InChIKey
XEMDFESAXKSEGI-UHFFFAOYSA-N
Compound name
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

1913
Patents

205.12741 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.134686 139.9
[M+Na]+ 228.116628 149.4
[M-H]- 204.120134 147.3
[M+NH4]+ 223.161233 161.2
[M+K]+ 244.090568 150.2
[M+H-H2O]+ 188.124670 134.7
[M+HCOO]- 250.125611 160.5
[M+CH3COO]- 264.141261 184.4
[M+Na-2H]- 226.102076 147.6
[M]+ 205.12686142 142.4
[M]- 205.12795858 142.4
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