CID 16217784

406463-06-7

Structural Information

Molecular Formula
C15H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=CC=C3
InChI
InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)12-7-8-13-11(10-12)6-5-9-17-13/h5-10H,1-4H3
InChIKey
VMFALDWCEQUFSX-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

344
Patents

255.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15035 155.3
[M+Na]+ 278.13229 170.1
[M+NH4]+ 273.17689 167.4
[M+K]+ 294.10623 161.4
[M-H]- 254.13579 162.2
[M+Na-2H]- 276.11774 164.5
[M]+ 255.14252 160.0
[M]- 255.14362 160.0
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