CID 44119359

4-(2-hydroxyethylcarbamoyl)benzeneboronic acid

Structural Information

Molecular Formula
C9H12BNO4
SMILES
B(C1=CC=C(C=C1)C(=O)NCCO)(O)O
InChI
InChI=1S/C9H12BNO4/c12-6-5-11-9(13)7-1-3-8(4-2-7)10(14)15/h1-4,12,14-15H,5-6H2,(H,11,13)
InChIKey
UEHHULJBSYEFDG-UHFFFAOYSA-N
Compound name
[4-(2-hydroxyethylcarbamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

209.08594 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09322 143.7
[M+Na]+ 232.07516 149.0
[M-H]- 208.07866 143.2
[M+NH4]+ 227.11976 159.9
[M+K]+ 248.04910 146.8
[M+H-H2O]+ 192.08320 137.7
[M+HCOO]- 254.08414 163.5
[M+CH3COO]- 268.09979 180.9
[M+Na-2H]- 230.06061 147.1
[M]+ 209.08539 141.5
[M]- 209.08649 141.5
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