CID 44119550

4-[(2-methoxyethyl)carbamoyl]benzeneboronic acid

Structural Information

Molecular Formula
C10H14BNO4
SMILES
B(C1=CC=C(C=C1)C(=O)NCCOC)(O)O
InChI
InChI=1S/C10H14BNO4/c1-16-7-6-12-10(13)8-2-4-9(5-3-8)11(14)15/h2-5,14-15H,6-7H2,1H3,(H,12,13)
InChIKey
QRGVHOKYRIQQTN-UHFFFAOYSA-N
Compound name
[4-(2-methoxyethylcarbamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

223.1016 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10888 147.8
[M+Na]+ 246.09082 153.1
[M-H]- 222.09432 148.5
[M+NH4]+ 241.13542 164.2
[M+K]+ 262.06476 151.6
[M+H-H2O]+ 206.09886 141.5
[M+HCOO]- 268.09980 168.8
[M+CH3COO]- 282.11545 186.2
[M+Na-2H]- 244.07627 151.2
[M]+ 223.10105 147.9
[M]- 223.10215 147.9
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