CID 17389514

(8-methoxy-2-methylquinolin-5-yl)boronic acid trihydrate

Structural Information

Molecular Formula
C11H12BNO3
SMILES
B(C1=C2C=CC(=NC2=C(C=C1)OC)C)(O)O
InChI
InChI=1S/C11H12BNO3/c1-7-3-4-8-9(12(14)15)5-6-10(16-2)11(8)13-7/h3-6,14-15H,1-2H3
InChIKey
HZFZKSYPDDTFQC-UHFFFAOYSA-N
Compound name
(8-methoxy-2-methylquinolin-5-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

217.09102 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09830 144.8
[M+Na]+ 240.08024 153.9
[M-H]- 216.08374 146.0
[M+NH4]+ 235.12484 162.2
[M+K]+ 256.05418 150.9
[M+H-H2O]+ 200.08828 138.5
[M+HCOO]- 262.08922 163.7
[M+CH3COO]- 276.10487 185.3
[M+Na-2H]- 238.06569 150.7
[M]+ 217.09047 146.2
[M]- 217.09157 146.2
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