CID 49757966

(2-hydroxyquinolin-3-yl)boronic acid

Structural Information

Molecular Formula
C9H8BNO3
SMILES
B(C1=CC2=CC=CC=C2NC1=O)(O)O
InChI
InChI=1S/C9H8BNO3/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9/h1-5,13-14H,(H,11,12)
InChIKey
RIRFRJDLNNSOJT-UHFFFAOYSA-N
Compound name
(2-oxo-1H-quinolin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

189.05972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06700 135.3
[M+Na]+ 212.04894 144.2
[M-H]- 188.05244 135.1
[M+NH4]+ 207.09354 152.8
[M+K]+ 228.02288 140.1
[M+H-H2O]+ 172.05698 129.5
[M+HCOO]- 234.05792 153.5
[M+CH3COO]- 248.07357 174.9
[M+Na-2H]- 210.03439 142.5
[M]+ 189.05917 133.1
[M]- 189.06027 133.1
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