CID 170903197

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,8-dihydroquinoline

Structural Information

Molecular Formula
C15H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC3=C(C2)C=CC=N3
InChI
InChI=1S/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)12-7-8-13-11(10-12)6-5-9-17-13/h5-7,9H,8,10H2,1-4H3
InChIKey
SKRNXUZLIDCBLF-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,8-dihydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.165996 156.3
[M+Na]+ 280.147938 165.6
[M-H]- 256.151444 164.2
[M+NH4]+ 275.192543 176.5
[M+K]+ 296.121878 164.7
[M+H-H2O]+ 240.155980 149.8
[M+HCOO]- 302.156921 173.8
[M+CH3COO]- 316.172571 169.4
[M+Na-2H]- 278.133386 162.4
[M]+ 257.15817142 157.9
[M]- 257.15926858 157.9
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

No patent data available for this compound.