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

11
Patents

167.07538 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.082656 132.2
[M+Na]+ 190.064598 139.9
[M-H]- 166.068104 133.3
[M+NH4]+ 185.109203 151.2
[M+K]+ 206.038538 138.2
[M+H-H2O]+ 150.072640 126.9
[M+HCOO]- 212.073581 154.2
[M+CH3COO]- 226.089231 176.2
[M+Na-2H]- 188.050046 136.7
[M]+ 167.07483142 130.6
[M]- 167.07592858 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