CID 142509172

(8-cyanoquinolin-6-yl)boronic acid

Structural Information

Molecular Formula
C10H7BN2O2
SMILES
B(C1=CC2=C(C(=C1)C#N)N=CC=C2)(O)O
InChI
InChI=1S/C10H7BN2O2/c12-6-8-5-9(11(14)15)4-7-2-1-3-13-10(7)8/h1-5,14-15H
InChIKey
GMAREFUZPIOMSY-UHFFFAOYSA-N
Compound name
(8-cyanoquinolin-6-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

198.06006 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.067336 143.3
[M+Na]+ 221.049278 154.0
[M-H]- 197.052784 143.6
[M+NH4]+ 216.093883 159.1
[M+K]+ 237.023218 148.8
[M+H-H2O]+ 181.057320 130.6
[M+HCOO]- 243.058261 158.9
[M+CH3COO]- 257.073911 192.5
[M+Na-2H]- 219.034726 149.4
[M]+ 198.05951142 137.2
[M]- 198.06060858 137.2
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

patents stripe