CID 2734663

Quinoline-3-boronic acid

Structural Information

Molecular Formula
C9H8BNO2
SMILES
B(C1=CC2=CC=CC=C2N=C1)(O)O
InChI
InChI=1S/C9H8BNO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6,12-13H
InChIKey
YGDICLRMNDWZAK-UHFFFAOYSA-N
Compound name
quinolin-3-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1993
Patents

173.0648 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.072076 132.5
[M+Na]+ 196.054018 140.8
[M-H]- 172.057524 133.4
[M+NH4]+ 191.098623 151.2
[M+K]+ 212.027958 137.6
[M+H-H2O]+ 156.062060 126.4
[M+HCOO]- 218.063001 151.9
[M+CH3COO]- 232.078651 174.7
[M+Na-2H]- 194.039466 141.0
[M]+ 173.06425142 131.0
[M]- 173.06534858 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe