CID 44119846

874459-76-4

Structural Information

Molecular Formula
C10H14BNO3
SMILES
B(C1=CC(=CC=C1)NC(=O)C(C)C)(O)O
InChI
InChI=1S/C10H14BNO3/c1-7(2)10(13)12-9-5-3-4-8(6-9)11(14)15/h3-7,14-15H,1-2H3,(H,12,13)
InChIKey
HXBVOKMSEWLCKA-UHFFFAOYSA-N
Compound name
[3-(2-methylpropanoylamino)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

207.10667 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11395 146.0
[M+Na]+ 230.09589 155.1
[M+NH4]+ 225.14049 152.3
[M+K]+ 246.06983 151.8
[M-H]- 206.09939 146.1
[M+Na-2H]- 228.08134 149.9
[M]+ 207.10612 146.9
[M]- 207.10722 146.9
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