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]+ 258.16600 156.3
[M+Na]+ 280.14794 165.6
[M-H]- 256.15144 164.2
[M+NH4]+ 275.19254 176.5
[M+K]+ 296.12188 164.7
[M+H-H2O]+ 240.15598 149.8
[M+HCOO]- 302.15692 173.8
[M+CH3COO]- 316.17257 169.4
[M+Na-2H]- 278.13339 162.4
[M]+ 257.15817 157.9
[M]- 257.15927 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.