CID 68541944

(5-amino-2-methoxyphenyl)boronic acid

Structural Information

Molecular Formula
C7H10BNO3
SMILES
B(C1=C(C=CC(=C1)N)OC)(O)O
InChI
InChI=1S/C7H10BNO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,9H2,1H3
InChIKey
HYRARRKVKUQXDS-UHFFFAOYSA-N
Compound name
(5-amino-2-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

167.07538 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08266 132.2
[M+Na]+ 190.06460 139.9
[M-H]- 166.06810 133.3
[M+NH4]+ 185.10920 151.2
[M+K]+ 206.03854 138.2
[M+H-H2O]+ 150.07264 126.9
[M+HCOO]- 212.07358 154.2
[M+CH3COO]- 226.08923 176.2
[M+Na-2H]- 188.05005 136.7
[M]+ 167.07483 130.6
[M]- 167.07593 130.6
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