CID 166466250

(1-methylisoquinolin-4-yl)boronic acid

Structural Information

Molecular Formula
C10H10BNO2
SMILES
B(C1=CN=C(C2=CC=CC=C12)C)(O)O
InChI
InChI=1S/C10H10BNO2/c1-7-8-4-2-3-5-9(8)10(6-12-7)11(13)14/h2-6,13-14H,1H3
InChIKey
MJERKHQYNISNEQ-UHFFFAOYSA-N
Compound name
(1-methylisoquinolin-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

187.08046 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08774 137.2
[M+Na]+ 210.06968 146.0
[M-H]- 186.07318 138.2
[M+NH4]+ 205.11428 155.6
[M+K]+ 226.04362 142.5
[M+H-H2O]+ 170.07772 131.1
[M+HCOO]- 232.07866 156.2
[M+CH3COO]- 246.09431 178.9
[M+Na-2H]- 208.05513 144.4
[M]+ 187.07991 136.4
[M]- 187.08101 136.4
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