CID 46738670

4-(2-acetamidoethyl)phenylboronic acid

Structural Information

Molecular Formula
C10H14BNO3
SMILES
B(C1=CC=C(C=C1)CCNC(=O)C)(O)O
InChI
InChI=1S/C10H14BNO3/c1-8(13)12-7-6-9-2-4-10(5-3-9)11(14)15/h2-5,14-15H,6-7H2,1H3,(H,12,13)
InChIKey
MASBKHYFMNIEKU-UHFFFAOYSA-N
Compound name
[4-(2-acetamidoethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

207.10667 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11395 145.2
[M+Na]+ 230.09589 150.7
[M-H]- 206.09939 146.0
[M+NH4]+ 225.14049 162.4
[M+K]+ 246.06983 148.5
[M+H-H2O]+ 190.10393 139.2
[M+HCOO]- 252.10487 166.0
[M+CH3COO]- 266.12052 184.0
[M+Na-2H]- 228.08134 148.5
[M]+ 207.10612 143.8
[M]- 207.10722 143.8
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