CID 86072260

865360-62-9

Structural Information

Molecular Formula
C11H15BO3
SMILES
B(C1=CC=C(C=C1)C2CCOCC2)(O)O
InChI
InChI=1S/C11H15BO3/c13-12(14)11-3-1-9(2-4-11)10-5-7-15-8-6-10/h1-4,10,13-14H,5-8H2
InChIKey
MYUSWMGNVKBANV-UHFFFAOYSA-N
Compound name
[4-(oxan-4-yl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

206.11142 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11870 145.0
[M+Na]+ 229.10064 156.6
[M+NH4]+ 224.14524 153.3
[M+K]+ 245.07458 151.5
[M-H]- 205.10414 149.3
[M+Na-2H]- 227.08609 151.0
[M]+ 206.11087 147.7
[M]- 206.11197 147.7
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