CID 57497353

4-carbamoyl-2-methoxyphenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.07028 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07756 138.5
[M+Na]+ 218.05950 145.6
[M-H]- 194.06300 139.5
[M+NH4]+ 213.10410 156.1
[M+K]+ 234.03344 144.3
[M+H-H2O]+ 178.06754 132.9
[M+HCOO]- 240.06848 159.6
[M+CH3COO]- 254.08413 181.6
[M+Na-2H]- 216.04495 141.2
[M]+ 195.06973 137.4
[M]- 195.07083 137.4
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

No patent data available for this compound.