CID 58422990

1022090-86-3

Structural Information

Molecular Formula
C16H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=C(C=C3)C
InChI
InChI=1S/C16H20BNO2/c1-11-6-7-12-10-13(8-9-14(12)18-11)17-19-15(2,3)16(4,5)20-17/h6-10H,1-5H3
InChIKey
MYFCHWHWPZSMRP-UHFFFAOYSA-N
Compound name
2-methyl-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

56
Patents

269.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16600 158.8
[M+Na]+ 292.14794 169.7
[M-H]- 268.15144 167.4
[M+NH4]+ 287.19254 178.9
[M+K]+ 308.12188 168.4
[M+H-H2O]+ 252.15598 152.4
[M+HCOO]- 314.15692 177.4
[M+CH3COO]- 328.17257 172.5
[M+Na-2H]- 290.13339 164.8
[M]+ 269.15817 162.6
[M]- 269.15927 162.6
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