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 147.1
[M+Na]+ 245.09556 152.1
[M-H]- 221.09906 151.4
[M+NH4]+ 240.14016 164.1
[M+K]+ 261.06950 151.2
[M+H-H2O]+ 205.10360 141.1
[M+HCOO]- 267.10454 166.1
[M+CH3COO]- 281.12019 181.1
[M+Na-2H]- 243.08101 150.2
[M]+ 222.10579 145.8
[M]- 222.10689 145.8
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