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

17
Patents

207.10667 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.113946 145.4
[M+Na]+ 230.095888 150.6
[M-H]- 206.099394 146.3
[M+NH4]+ 225.140493 162.5
[M+K]+ 246.069828 149.1
[M+H-H2O]+ 190.103930 139.5
[M+HCOO]- 252.104871 165.2
[M+CH3COO]- 266.120521 185.0
[M+Na-2H]- 228.081336 147.5
[M]+ 207.10612142 143.4
[M]- 207.10721858 143.4
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

patents stripe