CID 21886457

Quinolin-7-ylboronic acid

Structural Information

Molecular Formula
C9H8BNO2
SMILES
B(C1=CC2=C(C=CC=N2)C=C1)(O)O
InChI
InChI=1S/C9H8BNO2/c12-10(13)8-4-3-7-2-1-5-11-9(7)6-8/h1-6,12-13H
InChIKey
ZMEMBOIUHLWVRX-UHFFFAOYSA-N
Compound name
quinolin-7-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

173.0648 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07208 133.5
[M+Na]+ 196.05402 147.2
[M+NH4]+ 191.09862 142.2
[M+K]+ 212.02796 141.2
[M-H]- 172.05752 135.1
[M+Na-2H]- 194.03947 140.6
[M]+ 173.06425 135.9
[M]- 173.06535 135.9
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