CID 57497325

5-(aminocarbonyl)-2-methoxyphenylboronic acid

Structural Information

Molecular Formula
C8H10BNO4
SMILES
B(C1=C(C=CC(=C1)C(=O)N)OC)(O)O
InChI
InChI=1S/C8H10BNO4/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4,12-13H,1H3,(H2,10,11)
InChIKey
NVZRRVKTPGPRHU-UHFFFAOYSA-N
Compound name
(5-carbamoyl-2-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

195.07028 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07756 139.6
[M+Na]+ 218.05950 149.1
[M+NH4]+ 213.10410 145.6
[M+K]+ 234.03344 146.4
[M-H]- 194.06300 139.3
[M+Na-2H]- 216.04495 143.2
[M]+ 195.06973 140.4
[M]- 195.07083 140.4
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