CID 2773299

220210-56-0

Structural Information

Molecular Formula
C11H15BO4
SMILES
B(C1=CC(=CC=C1)C(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C11H15BO4/c1-11(2,3)16-10(13)8-5-4-6-9(7-8)12(14)15/h4-7,14-15H,1-3H3
InChIKey
HVJDVHCPCSZDSR-UHFFFAOYSA-N
Compound name
[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

803
Patents

222.10634 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11362 148.5
[M+Na]+ 245.09556 158.4
[M+NH4]+ 240.14016 154.6
[M+K]+ 261.06950 155.5
[M-H]- 221.09906 147.5
[M+Na-2H]- 243.08101 152.5
[M]+ 222.10579 149.4
[M]- 222.10689 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe