CID 63556694

{3-[(oxolan-3-yloxy)methyl]phenyl}boronic acid

Structural Information

Molecular Formula
C11H15BO4
SMILES
B(C1=CC(=CC=C1)COC2CCOC2)(O)O
InChI
InChI=1S/C11H15BO4/c13-12(14)10-3-1-2-9(6-10)7-16-11-4-5-15-8-11/h1-3,6,11,13-14H,4-5,7-8H2
InChIKey
WLAWVOZSYDZOQC-UHFFFAOYSA-N
Compound name
[3-(oxolan-3-yloxymethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

222.10634 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11362 148.3
[M+Na]+ 245.09556 158.2
[M+NH4]+ 240.14016 155.7
[M+K]+ 261.06950 155.8
[M-H]- 221.09906 151.2
[M+Na-2H]- 243.08101 152.8
[M]+ 222.10579 150.3
[M]- 222.10689 150.3
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