CID 122163715

7-methyl-8-(tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

Structural Information

Molecular Formula
C16H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC3=C2N=CC=C3)C
InChI
InChI=1S/C16H20BNO2/c1-11-8-9-12-7-6-10-18-14(12)13(11)17-19-15(2,3)16(4,5)20-17/h6-10H,1-5H3
InChIKey
AYIFQLQWBWFLFP-UHFFFAOYSA-N
Compound name
7-methyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16600 159.3
[M+Na]+ 292.14794 174.2
[M+NH4]+ 287.19254 171.2
[M+K]+ 308.12188 165.5
[M-H]- 268.15144 166.2
[M+Na-2H]- 290.13339 168.0
[M]+ 269.15817 164.0
[M]- 269.15927 164.0
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.