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

6
Patents

198.06006 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06734 143.3
[M+Na]+ 221.04928 154.0
[M-H]- 197.05278 143.6
[M+NH4]+ 216.09388 159.1
[M+K]+ 237.02322 148.8
[M+H-H2O]+ 181.05732 130.6
[M+HCOO]- 243.05826 158.9
[M+CH3COO]- 257.07391 192.5
[M+Na-2H]- 219.03473 149.4
[M]+ 198.05951 137.2
[M]- 198.06061 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