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]+ 196.077556 138.5
[M+Na]+ 218.059498 145.6
[M-H]- 194.063004 139.5
[M+NH4]+ 213.104103 156.1
[M+K]+ 234.033438 144.3
[M+H-H2O]+ 178.067540 132.9
[M+HCOO]- 240.068481 159.6
[M+CH3COO]- 254.084131 181.6
[M+Na-2H]- 216.044946 141.2
[M]+ 195.06973142 137.4
[M]- 195.07082858 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.