CID 133551253

4-(oxan-3-yl)phenylboronic acid

Structural Information

Molecular Formula
C11H15BO3
SMILES
B(C1=CC=C(C=C1)C2CCCOC2)(O)O
InChI
InChI=1S/C11H15BO3/c13-12(14)11-5-3-9(4-6-11)10-2-1-7-15-8-10/h3-6,10,13-14H,1-2,7-8H2
InChIKey
OVWKGQTYJXVJJN-UHFFFAOYSA-N
Compound name
[4-(oxan-3-yl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.11142 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11870 144.1
[M+Na]+ 229.10064 148.4
[M-H]- 205.10414 148.1
[M+NH4]+ 224.14524 159.9
[M+K]+ 245.07458 147.0
[M+H-H2O]+ 189.10868 137.6
[M+HCOO]- 251.10962 160.7
[M+CH3COO]- 265.12527 179.5
[M+Na-2H]- 227.08609 148.6
[M]+ 206.11087 139.2
[M]- 206.11197 139.2
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

No patent data available for this compound.